MiMeDB: Showing metabocard for Castavinol C3 (MMDBc0033604)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:55:27 UTC

Update Date

2025-10-07 16:08:01 UTC

Metabolite ID

MMDBc0033604

Metabolite Identification

Common Name

Castavinol C3

Description

Castavinol C3 is a flavonoid metabolite. There is limited literature available on this compound, indicating a need for further research to better understand its properties and potential biological effects.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241223202D          

 39 43  0  0  0  0            999 V2000
   -3.2705    4.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9850    3.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9850    3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2705    2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5561    3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5561    3.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6995    4.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8416    4.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1271    3.9482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1271    3.1232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8416    2.7107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2582    2.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3302    3.7347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8416    1.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457    1.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    1.4129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1698    0.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5438    4.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707    5.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5438    5.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852    4.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852    5.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707    6.5941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707    7.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996    5.7691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4666    1.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2635    1.3159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8469    1.8993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6334    2.6962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8365    2.9097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2531    2.3263    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5438    2.5399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230    3.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168    3.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6438    1.6858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4771    0.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740    0.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996    4.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  1  0  0  0
  9 13  1  1  0  0  0
 13 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  9 18  1  6  0  0  0
 20 18  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 10 33  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  1  0  0  0
 31 34  1  1  0  0  0
 30 35  1  1  0  0  0
 29 36  1  6  0  0  0
 28 37  1  6  0  0  0
 37 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END


  Mrv0541 02241223202D          

 39 43  0  0  0  0            999 V2000
   -3.2705    4.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9850    3.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9850    3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2705    2.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5561    3.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5561    3.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6995    4.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8416    4.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1271    3.9482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1271    3.1232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8416    2.7107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2582    2.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3302    3.7347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8416    1.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8457    1.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207    1.4129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1698    0.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5438    4.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707    5.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5438    5.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852    4.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852    5.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707    6.5941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1707    7.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996    5.7691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4666    1.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2635    1.3159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8469    1.8993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6334    2.6962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8365    2.9097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2531    2.3263    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5438    2.5399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230    3.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168    3.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6438    1.6858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4771    0.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740    0.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996    4.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  1  0  0  0
  9 13  1  1  0  0  0
 13 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  9 18  1  6  0  0  0
 20 18  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 10 33  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  1  0  0  0
 31 34  1  1  0  0  0
 30 35  1  1  0  0  0
 29 36  1  6  0  0  0
 28 37  1  6  0  0  0
 37 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033604

> <DATABASE_NAME>
MIME

> <SMILES>
COC1=C(O)C(O)=CC(=C1)[C@]12OC(C)([C@H]([C@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C1=C(O2)C=C(O)C=C1)C(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H30O13/c1-10(28)25(2)18-13-5-4-12(29)8-15(13)38-26(39-25,11-6-14(30)19(31)16(7-11)35-3)23(18)37-24-22(34)21(33)20(32)17(9-27)36-24/h4-8,17-18,20-24,27,29-34H,9H2,1-3H3/t17-,18-,20+,21-,22-,23+,24-,25?,26-/m0/s1

> <INCHI_KEY>
ALSDFAORYWHNNX-UFFWUXHJSA-N

> <FORMULA>
C26H30O13

> <MOLECULAR_WEIGHT>
550.5086

> <EXACT_MASS>
550.168641046

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
53.05686588200011

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(1S,9S,12R)-9-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-11-methyl-12-{[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-11-yl]ethan-1-one

> <ALOGPS_LOGP>
1.18

> <JCHEM_LOGP>
0.5643668976666665

> <ALOGPS_LOGS>
-2.54

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.641540707664916

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.035571515253999

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835703821486

> <JCHEM_POLAR_SURFACE_AREA>
204.82999999999998

> <JCHEM_REFRACTIVITY>
129.24829999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.60e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[(1S,9S,12R)-9-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-11-methyl-12-{[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-11-yl]ethanone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -6.105   8.140   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.439   7.370   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -7.439   5.830   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.105   5.060   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.771   5.830   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.771   7.370   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -8.772   8.140   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -3.438   8.140   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -2.104   7.370   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.104   5.830   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.438   5.060   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.349   3.971   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -0.616   6.971   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -3.438   2.882   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.579   2.637   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.039   2.637   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -2.184   1.372   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.015   8.459   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.319  10.769   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.015   9.999   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.319   7.689   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.652   8.459   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.652   9.999   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.319  12.309   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       0.319  13.849   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.986  10.769   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       0.871   2.855   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       2.359   2.456   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.448   3.545   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.049   5.033   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.561   5.431   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.472   4.342   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -1.015   4.741   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       1.163   6.919   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       4.138   6.122   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       4.935   3.147   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       2.757   0.969   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       4.245   0.570   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       2.986   7.689   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    1    8                                                  
CONECT    7    2                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   13   18                                             
CONECT   10    9   11   33                                                  
CONECT   11    5   10   12                                                  
CONECT   12   11   13   14   15                                             
CONECT   13    9   12                                                       
CONECT   14   12                                                            
CONECT   15   12   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18    9   20   21                                                  
CONECT   19   20   23   24                                                  
CONECT   20   18   19                                                       
CONECT   21   18   22                                                       
CONECT   22   21   23   39                                                  
CONECT   23   22   19   26                                                  
CONECT   24   19   25                                                       
CONECT   25   24                                                            
CONECT   26   23                                                            
CONECT   27   28   32                                                       
CONECT   28   27   29   37                                                  
CONECT   29   28   30   36                                                  
CONECT   30   29   31   35                                                  
CONECT   31   30   32   34                                                  
CONECT   32   31   27   33                                                  
CONECT   33   10   32                                                       
CONECT   34   31                                                            
CONECT   35   30                                                            
CONECT   36   29                                                            
CONECT   37   28   38                                                       
CONECT   38   37                                                            
CONECT   39   22                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

Synonyms

Not Available

Molecular Formula

C₂₆H₃₀O₁₃

Average Mass

550.5086

Monoisotopic Mass

550.168641046

IUPAC Name

1-[(1S,9S,12R)-9-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-11-methyl-12-{[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,10-dioxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-11-yl]ethan-1-one

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=C(O)C(O)=CC(=C1)[C@]12OC(C)([C@H]([C@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C1=C(O2)C=C(O)C=C1)C(C)=O

InChI Identifier

InChI=1S/C26H30O13/c1-10(28)25(2)18-13-5-4-12(29)8-15(13)38-26(39-25,11-6-14(30)19(31)16(7-11)35-3)23(18)37-24-22(34)21(33)20(32)17(9-27)36-24/h4-8,17-18,20-24,27,29-34H,9H2,1-3H3/t17-,18-,20+,21-,22-,23+,24-,25?,26-/m0/s1

InChI Key

ALSDFAORYWHNNX-UFFWUXHJSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

3'-O-methylated flavonoids

Alternative Parents

Substituents

3p-methoxyflavonoid-skeleton
Hydroxyflavonoid
Flavan-3-ol
7-hydroxyflavonoid
4'-hydroxyflavonoid
3'-hydroxyflavonoid
Flavan
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
1-benzopyran
Methoxyphenol
Benzopyran
Chromane
Phenoxy compound
Methoxybenzene
Phenol ether
Catechol
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Ketal
Phenol
Alkyl aryl ether
Benzenoid
Oxane
Monosaccharide
Monocyclic benzene moiety
Tetrahydrofuran
Secondary alcohol
Ketone
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	1.6 g/L	ALOGPS
logP	1.18	ALOGPS
logP	0.56	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	9.04	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	204.83 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	129.25 m³·mol⁻¹	ChemAxon
Polarizability	53.06 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-1709070000-eb06ea1c7fbb9cff1ad5	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0309010000-2b71ade160a77470635e	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-2903000000-a5c51bd3a704ea06c9f4	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-000b-1204190000-1a219ba21469bae1c5a8	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-0309020000-fb8af95698b133e9fb3b	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-05tv-6229000000-a2b1ff74088e55878696	2016-09-12	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-22	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	236.4
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	110.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	354.7
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	405.6
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	387.5
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	182.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	1745.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	321.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	302.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	184.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	370.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	160.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	118.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (void)	2025-10-24	224.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	327.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	74.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	271.7
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1205.1
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	710.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Castavinol C3_TMS_1	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1019.53
Gas Chromatography	Castavinol C3_TMS_2	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	2194.91
Gas Chromatography	Castavinol C3_TMS_3	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	500.097
Gas Chromatography	Castavinol C3_TMS_4	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1732.59
Gas Chromatography	Castavinol C3_TMS_5	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1059.7
Gas Chromatography	Castavinol C3_TMS_6	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1546.31
Gas Chromatography	Castavinol C3_TMS_7	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1350.76
Gas Chromatography	Castavinol C3_TMS_8	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2804.2
Gas Chromatography	Castavinol C3_TMS_9	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1633.23
Gas Chromatography	Castavinol C3_TMS_10	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2535.53
Gas Chromatography	Castavinol C3_TMS_11	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2031.67
Gas Chromatography	Castavinol C3_TMS_12	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1809.33
Gas Chromatography	Castavinol C3_TMS_13	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1791.99
Gas Chromatography	Castavinol C3_TMS_14	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1692.22
Gas Chromatography	Castavinol C3_TMS_15	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1787.66
Gas Chromatography	Castavinol C3_TMS_16	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	2278.88
Gas Chromatography	Castavinol C3_TMS_17	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	979.061
Gas Chromatography	Castavinol C3_TMS_18	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	1371.3
Gas Chromatography	Castavinol C3_TMS_19	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	2187.16
Gas Chromatography	Castavinol C3_TMS_20	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	2137.76
Gas Chromatography	Castavinol C3_TMS_21	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1230.72
Gas Chromatography	Castavinol C3_TMS_22	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2124.82
Gas Chromatography	Castavinol C3_TMS_23	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1628.08
Gas Chromatography	Castavinol C3_TMS_24	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1848.98
Gas Chromatography	Castavinol C3_TMS_25	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2923.22
Gas Chromatography	Castavinol C3_TMS_26	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	3311.95
Gas Chromatography	Castavinol C3_TMS_27	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2455.37
Gas Chromatography	Castavinol C3_TMS_28	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1241.18
Gas Chromatography	Castavinol C3_TMS_29	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2382.35
Gas Chromatography	Castavinol C3_TMS_30	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	919.997
Gas Chromatography	Castavinol C3_TMS_31	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2306.32
Gas Chromatography	Castavinol C3_TMS_32	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1706.77
Gas Chromatography	Castavinol C3_TMS_33	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1530.64
Gas Chromatography	Castavinol C3_TMS_34	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2878.66
Gas Chromatography	Castavinol C3_TMS_35	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3101.58
Gas Chromatography	Castavinol C3_TMS_36	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1454.89
Gas Chromatography	Castavinol C3_TMS_37	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	205.192
Gas Chromatography	Castavinol C3_TMS_38	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1977.86
Gas Chromatography	Castavinol C3_TMS_39	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1319.28
Gas Chromatography	Castavinol C3_TMS_40	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1624.01
Gas Chromatography	Castavinol C3_TMS_41	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	-44.6548
Gas Chromatography	Castavinol C3_TMS_42	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1841.7
Gas Chromatography	Castavinol C3_TMS_43	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	3462.16
Gas Chromatography	Castavinol C3_TMS_44	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2644.24
Gas Chromatography	Castavinol C3_TMS_45	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1362.11
Gas Chromatography	Castavinol C3_TMS_46	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2573.84
Gas Chromatography	Castavinol C3_TMS_47	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1403.18
Gas Chromatography	Castavinol C3_TMS_48	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	3451.88
Gas Chromatography	Castavinol C3_TMS_49	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2413.99
Gas Chromatography	Castavinol C3_TMS_50	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2958.39
Gas Chromatography	Castavinol C3_TMS_51	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2735.01
Gas Chromatography	Castavinol C3_TMS_52	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1870.16
Gas Chromatography	Castavinol C3_TMS_53	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1810.61
Gas Chromatography	Castavinol C3_TMS_54	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	710.806
Gas Chromatography	Castavinol C3_TMS_55	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2015.56
Gas Chromatography	Castavinol C3_TMS_56	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1131.42
Gas Chromatography	Castavinol C3_TMS_57	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2729.26
Gas Chromatography	Castavinol C3_TMS_58	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	277.65
Gas Chromatography	Castavinol C3_TMS_59	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	1788.3
Gas Chromatography	Castavinol C3_TMS_60	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	1556.66
Gas Chromatography	Castavinol C3_TMS_61	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	1013.9
Gas Chromatography	Castavinol C3_TMS_62	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2055.62
Gas Chromatography	Castavinol C3_TMS_63	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	2729.42
Gas Chromatography	Castavinol C3_TMS_64	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	2796.27
Gas Chromatography	Castavinol C3_TMS_65	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	1341.17
Gas Chromatography	Castavinol C3_TMS_66	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1555.92
Gas Chromatography	Castavinol C3_TMS_67	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	1280.6
Gas Chromatography	Castavinol C3_TMS_68	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	1907.55
Gas Chromatography	Castavinol C3_TMS_69	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2623.11
Gas Chromatography	Castavinol C3_TMS_70	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	3093.49
Gas Chromatography	Castavinol C3_TMS_71	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1737.45
Gas Chromatography	Castavinol C3_TMS_72	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	940.774
Gas Chromatography	Castavinol C3_TMS_73	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1378.64
Gas Chromatography	Castavinol C3_TMS_74	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2751.31
Gas Chromatography	Castavinol C3_TMS_75	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	3137.27
Gas Chromatography	Castavinol C3_TMS_76	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2257.01
Gas Chromatography	Castavinol C3_TMS_77	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1253.62
Gas Chromatography	Castavinol C3_TMS_78	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2581.74
Gas Chromatography	Castavinol C3_TMS_79	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1543.61
Gas Chromatography	Castavinol C3_TMS_80	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2983.96
Gas Chromatography	Castavinol C3_TMS_81	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2362.05
Gas Chromatography	Castavinol C3_TMS_82	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3253.92
Gas Chromatography	Castavinol C3_TMS_83	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2120.8
Gas Chromatography	Castavinol C3_TMS_84	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2321.36
Gas Chromatography	Castavinol C3_TMS_85	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	811.666
Gas Chromatography	Castavinol C3_TMS_86	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2638.27
Gas Chromatography	Castavinol C3_TMS_87	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1470.06
Gas Chromatography	Castavinol C3_TMS_88	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1211.1
Gas Chromatography	Castavinol C3_TMS_89	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2462.37
Gas Chromatography	Castavinol C3_TMS_90	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2173.22
Gas Chromatography	Castavinol C3_TMS_91	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2193.32
Gas Chromatography	Castavinol C3_TMS_92	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2021.17
Gas Chromatography	Castavinol C3_TMS_93	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	517.031
Gas Chromatography	Castavinol C3_TMS_94	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1136.47
Gas Chromatography	Castavinol C3_TMS_95	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1213.42
Gas Chromatography	Castavinol C3_TMS_96	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	766.028
Gas Chromatography	Castavinol C3_TMS_97	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2522.72
Gas Chromatography	Castavinol C3_TMS_98	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2458.26
Gas Chromatography	Castavinol C3_TMS_99	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1034.81
Gas Chromatography	Castavinol C3_TMS_100	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1029.66
Gas Chromatography	Castavinol C3_TMS_101	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1243.47
Gas Chromatography	Castavinol C3_TMS_102	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1487.7
Gas Chromatography	Castavinol C3_TMS_103	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2945.33
Gas Chromatography	Castavinol C3_TMS_104	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1660.99
Gas Chromatography	Castavinol C3_TMS_105	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	194.45
Gas Chromatography	Castavinol C3_TMS_106	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2646.34
Gas Chromatography	Castavinol C3_TMS_107	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1831.26
Gas Chromatography	Castavinol C3_TMS_108	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	3115.08
Gas Chromatography	Castavinol C3_TMS_109	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2152.23
Gas Chromatography	Castavinol C3_TMS_110	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1731.84
Gas Chromatography	Castavinol C3_TMS_111	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1357.24
Gas Chromatography	Castavinol C3_TMS_112	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2888.41
Gas Chromatography	Castavinol C3_TMS_113	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1876.11
Gas Chromatography	Castavinol C3_TMS_114	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	850.015
Gas Chromatography	Castavinol C3_TMS_115	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2484.13
Gas Chromatography	Castavinol C3_TMS_116	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1633.28
Gas Chromatography	Castavinol C3_TMS_117	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	3308.36
Gas Chromatography	Castavinol C3_TMS_118	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1885.81
Gas Chromatography	Castavinol C3_TMS_119	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	2256.22
Gas Chromatography	Castavinol C3_TMS_120	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2949.29
Gas Chromatography	Castavinol C3_TMS_121	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	1542.26
Gas Chromatography	Castavinol C3_TMS_122	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1782.2
Gas Chromatography	Castavinol C3_TMS_123	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2021.82
Gas Chromatography	Castavinol C3_TMS_124	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-24	152.791
Gas Chromatography	Castavinol C3_TMS_125	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2626.32
Gas Chromatography	Castavinol C3_TMS_126	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2175.48
Gas Chromatography	Castavinol C3_TMS_127	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3291.78
Gas Chromatography	Castavinol C3_TMS_128	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	1946.68
Gas Chromatography	Castavinol C3_TMS_129	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	1368.69
Gas Chromatography	Castavinol C3_TMS_130	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	1243.17
Gas Chromatography	Castavinol C3_TMS_131	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1718.45
Gas Chromatography	Castavinol C3_TMS_132	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	2052.58
Gas Chromatography	Castavinol C3_TMS_133	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	721.716
Gas Chromatography	Castavinol C3_TMS_134	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1161.63
Gas Chromatography	Castavinol C3_TMS_135	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	2665.16
Gas Chromatography	Castavinol C3_TMS_136	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	4008.67
Gas Chromatography	Castavinol C3_TMS_137	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2406.2
Gas Chromatography	Castavinol C3_TMS_138	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	2094.03
Gas Chromatography	Castavinol C3_TMS_139	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	994.783
Gas Chromatography	Castavinol C3_TMS_140	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	2425.78
Gas Chromatography	Castavinol C3_TMS_141	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	3541.43
Gas Chromatography	Castavinol C3_TMS_142	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1776.2
Gas Chromatography	Castavinol C3_TMS_143	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1849.24
Gas Chromatography	Castavinol C3_TMS_144	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-24	1569.3
Gas Chromatography	Castavinol C3_TMS_145	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	3195.82
Gas Chromatography	Castavinol C3_TMS_146	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2791.36
Gas Chromatography	Castavinol C3_TMS_147	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2071.9
Gas Chromatography	Castavinol C3_TMS_148	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	2312.74
Gas Chromatography	Castavinol C3_TMS_149	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	565.364
Gas Chromatography	Castavinol C3_TMS_150	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	3324.86
Gas Chromatography	Castavinol C3_TMS_151	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1957.04
Gas Chromatography	Castavinol C3_TMS_152	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2205.96
Gas Chromatography	Castavinol C3_TMS_153	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1568.77
Gas Chromatography	Castavinol C3_TMS_154	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1999.54
Gas Chromatography	Castavinol C3_TMS_155	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2953.35
Gas Chromatography	Castavinol C3_TMS_156	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1554.3
Gas Chromatography	Castavinol C3_TMS_157	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	4038.02
Gas Chromatography	Castavinol C3_TMS_158	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard non polar	2025-10-24	1075.2
Gas Chromatography	Castavinol C3_TMS_159	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1111.67
Gas Chromatography	Castavinol C3_TMS_160	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1459.47
Gas Chromatography	Castavinol C3_TMS_161	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3515.22
Gas Chromatography	Castavinol C3_TMS_162	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1441.12
Gas Chromatography	Castavinol C3_TMS_1	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	2126.27
Gas Chromatography	Castavinol C3_TMS_2	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	2849.32
Gas Chromatography	Castavinol C3_TMS_3	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	2608.8
Gas Chromatography	Castavinol C3_TMS_4	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	2628.42
Gas Chromatography	Castavinol C3_TMS_5	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1650.32
Gas Chromatography	Castavinol C3_TMS_6	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1928.07
Gas Chromatography	Castavinol C3_TMS_7	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1915.52
Gas Chromatography	Castavinol C3_TMS_8	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1569.08
Gas Chromatography	Castavinol C3_TMS_9	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	1638.54
Gas Chromatography	Castavinol C3_TMS_10	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	2405.8
Gas Chromatography	Castavinol C3_TMS_11	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	1631.55
Gas Chromatography	Castavinol C3_TMS_12	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	1899.54
Gas Chromatography	Castavinol C3_TMS_13	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	1293.52
Gas Chromatography	Castavinol C3_TMS_14	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	1802.99
Gas Chromatography	Castavinol C3_TMS_15	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	3125.0
Gas Chromatography	Castavinol C3_TMS_16	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	3279.06
Gas Chromatography	Castavinol C3_TMS_17	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	3358.23
Gas Chromatography	Castavinol C3_TMS_18	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	2929.5
Gas Chromatography	Castavinol C3_TMS_19	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	2483.5
Gas Chromatography	Castavinol C3_TMS_20	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	3222.22
Gas Chromatography	Castavinol C3_TMS_21	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1872.6
Gas Chromatography	Castavinol C3_TMS_22	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1143.44
Gas Chromatography	Castavinol C3_TMS_23	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1227.39
Gas Chromatography	Castavinol C3_TMS_24	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	2076.57
Gas Chromatography	Castavinol C3_TMS_25	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	3155.9
Gas Chromatography	Castavinol C3_TMS_26	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2448.7
Gas Chromatography	Castavinol C3_TMS_27	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1302.53
Gas Chromatography	Castavinol C3_TMS_28	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1949.93
Gas Chromatography	Castavinol C3_TMS_29	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1257.13
Gas Chromatography	Castavinol C3_TMS_30	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2906.59
Gas Chromatography	Castavinol C3_TMS_31	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	2158.8
Gas Chromatography	Castavinol C3_TMS_32	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	2879.34
Gas Chromatography	Castavinol C3_TMS_33	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1888.47
Gas Chromatography	Castavinol C3_TMS_34	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	945.432
Gas Chromatography	Castavinol C3_TMS_35	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1861.46
Gas Chromatography	Castavinol C3_TMS_36	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2452.31
Gas Chromatography	Castavinol C3_TMS_37	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	2567.57
Gas Chromatography	Castavinol C3_TMS_38	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	2157.98
Gas Chromatography	Castavinol C3_TMS_39	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	2156.92
Gas Chromatography	Castavinol C3_TMS_40	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	1430.12
Gas Chromatography	Castavinol C3_TMS_41	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	2753.02
Gas Chromatography	Castavinol C3_TMS_42	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1860.91
Gas Chromatography	Castavinol C3_TMS_43	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	1421.3
Gas Chromatography	Castavinol C3_TMS_44	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	2644.83
Gas Chromatography	Castavinol C3_TMS_45	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	3277.28
Gas Chromatography	Castavinol C3_TMS_46	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	2141.56
Gas Chromatography	Castavinol C3_TMS_47	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1638.49
Gas Chromatography	Castavinol C3_TMS_48	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	2703.06
Gas Chromatography	Castavinol C3_TMS_49	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	552.308
Gas Chromatography	Castavinol C3_TMS_50	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	2332.34
Gas Chromatography	Castavinol C3_TMS_51	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2977.68
Gas Chromatography	Castavinol C3_TMS_52	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	2370.09
Gas Chromatography	Castavinol C3_TMS_53	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	1502.41
Gas Chromatography	Castavinol C3_TMS_54	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2272.07
Gas Chromatography	Castavinol C3_TMS_55	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	2427.85
Gas Chromatography	Castavinol C3_TMS_56	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1749.88
Gas Chromatography	Castavinol C3_TMS_57	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2917.24
Gas Chromatography	Castavinol C3_TMS_58	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	1089.94
Gas Chromatography	Castavinol C3_TMS_59	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	2297.4
Gas Chromatography	Castavinol C3_TMS_60	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	1562.73
Gas Chromatography	Castavinol C3_TMS_61	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	767.712
Gas Chromatography	Castavinol C3_TMS_62	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1742.27
Gas Chromatography	Castavinol C3_TMS_63	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	849.916
Gas Chromatography	Castavinol C3_TMS_64	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	1052.73
Gas Chromatography	Castavinol C3_TMS_65	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	871.884
Gas Chromatography	Castavinol C3_TMS_66	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1921.08
Gas Chromatography	Castavinol C3_TMS_67	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	3528.45
Gas Chromatography	Castavinol C3_TMS_68	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	1293.08
Gas Chromatography	Castavinol C3_TMS_69	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	3261.94
Gas Chromatography	Castavinol C3_TMS_70	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	2374.96
Gas Chromatography	Castavinol C3_TMS_71	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2611.52
Gas Chromatography	Castavinol C3_TMS_72	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2293.46
Gas Chromatography	Castavinol C3_TMS_73	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	2273.54
Gas Chromatography	Castavinol C3_TMS_74	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	919.452
Gas Chromatography	Castavinol C3_TMS_75	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	2064.91
Gas Chromatography	Castavinol C3_TMS_76	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2283.82
Gas Chromatography	Castavinol C3_TMS_77	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1832.59
Gas Chromatography	Castavinol C3_TMS_78	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	821.617
Gas Chromatography	Castavinol C3_TMS_79	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1756.99
Gas Chromatography	Castavinol C3_TMS_80	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1593.96
Gas Chromatography	Castavinol C3_TMS_81	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1591.97
Gas Chromatography	Castavinol C3_TMS_82	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2442.04
Gas Chromatography	Castavinol C3_TMS_83	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	3105.2
Gas Chromatography	Castavinol C3_TMS_84	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1478.6
Gas Chromatography	Castavinol C3_TMS_85	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2145.11
Gas Chromatography	Castavinol C3_TMS_86	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1096.16
Gas Chromatography	Castavinol C3_TMS_87	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3459.35
Gas Chromatography	Castavinol C3_TMS_88	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	4090.15
Gas Chromatography	Castavinol C3_TMS_89	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	2180.57
Gas Chromatography	Castavinol C3_TMS_90	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2040.14
Gas Chromatography	Castavinol C3_TMS_91	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	148.671
Gas Chromatography	Castavinol C3_TMS_92	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2417.61
Gas Chromatography	Castavinol C3_TMS_93	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	1066.11
Gas Chromatography	Castavinol C3_TMS_94	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	3248.6
Gas Chromatography	Castavinol C3_TMS_95	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	998.71
Gas Chromatography	Castavinol C3_TMS_96	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	2888.69
Gas Chromatography	Castavinol C3_TMS_97	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2329.19
Gas Chromatography	Castavinol C3_TMS_98	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	1199.1
Gas Chromatography	Castavinol C3_TMS_99	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	2973.99
Gas Chromatography	Castavinol C3_TMS_100	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	2156.97
Gas Chromatography	Castavinol C3_TMS_101	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	1351.53
Gas Chromatography	Castavinol C3_TMS_102	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	487.105
Gas Chromatography	Castavinol C3_TMS_103	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	1629.34
Gas Chromatography	Castavinol C3_TMS_104	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3972.25
Gas Chromatography	Castavinol C3_TMS_105	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	2190.8
Gas Chromatography	Castavinol C3_TMS_106	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1237.0
Gas Chromatography	Castavinol C3_TMS_107	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	127.944
Gas Chromatography	Castavinol C3_TMS_108	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	3369.4
Gas Chromatography	Castavinol C3_TMS_109	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	173.39
Gas Chromatography	Castavinol C3_TMS_110	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	687.256
Gas Chromatography	Castavinol C3_TMS_111	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2263.33
Gas Chromatography	Castavinol C3_TMS_112	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	1663.24
Gas Chromatography	Castavinol C3_TMS_113	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	2180.57
Gas Chromatography	Castavinol C3_TMS_114	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1467.59
Gas Chromatography	Castavinol C3_TMS_115	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	951.942
Gas Chromatography	Castavinol C3_TMS_116	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1900.07
Gas Chromatography	Castavinol C3_TMS_117	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	3679.84
Gas Chromatography	Castavinol C3_TMS_118	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-24	1272.21
Gas Chromatography	Castavinol C3_TMS_119	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	969.031
Gas Chromatography	Castavinol C3_TMS_120	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2219.14
Gas Chromatography	Castavinol C3_TMS_121	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	2790.53
Gas Chromatography	Castavinol C3_TMS_122	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2926.38
Gas Chromatography	Castavinol C3_TMS_123	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	3031.44
Gas Chromatography	Castavinol C3_TMS_124	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-24	568.784
Gas Chromatography	Castavinol C3_TMS_125	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O[Si](C)(C)C)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1830.98
Gas Chromatography	Castavinol C3_TMS_126	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1168.96
Gas Chromatography	Castavinol C3_TMS_127	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3766.87
Gas Chromatography	Castavinol C3_TMS_128	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	2416.84
Gas Chromatography	Castavinol C3_TMS_129	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	1582.93
Gas Chromatography	Castavinol C3_TMS_130	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	2217.5
Gas Chromatography	Castavinol C3_TMS_131	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-24	3818.72
Gas Chromatography	Castavinol C3_TMS_132	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	1178.6
Gas Chromatography	Castavinol C3_TMS_133	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	1201.26
Gas Chromatography	Castavinol C3_TMS_134	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2267.99
Gas Chromatography	Castavinol C3_TMS_135	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	1313.23
Gas Chromatography	Castavinol C3_TMS_136	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2837.66
Gas Chromatography	Castavinol C3_TMS_137	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3454.59
Gas Chromatography	Castavinol C3_TMS_138	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	678.7
Gas Chromatography	Castavinol C3_TMS_139	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	1965.07
Gas Chromatography	Castavinol C3_TMS_140	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	4175.95
Gas Chromatography	Castavinol C3_TMS_141	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	1953.0
Gas Chromatography	Castavinol C3_TMS_142	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2340.66
Gas Chromatography	Castavinol C3_TMS_143	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3289.02
Gas Chromatography	Castavinol C3_TMS_144	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-24	2159.91
Gas Chromatography	Castavinol C3_TMS_145	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1656.46
Gas Chromatography	Castavinol C3_TMS_146	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2971.27
Gas Chromatography	Castavinol C3_TMS_147	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(OC)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	898.754
Gas Chromatography	Castavinol C3_TMS_148	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	945.032
Gas Chromatography	Castavinol C3_TMS_149	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1726.41
Gas Chromatography	Castavinol C3_TMS_150	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2710.29
Gas Chromatography	Castavinol C3_TMS_151	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	2339.47
Gas Chromatography	Castavinol C3_TMS_152	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1829.2
Gas Chromatography	Castavinol C3_TMS_153	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1934.27
Gas Chromatography	Castavinol C3_TMS_154	COC1=CC([C@@]23OC4=CC(O)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1616.38
Gas Chromatography	Castavinol C3_TMS_155	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1742.12
Gas Chromatography	Castavinol C3_TMS_156	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2033.09
Gas Chromatography	Castavinol C3_TMS_157	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1542.3
Gas Chromatography	Castavinol C3_TMS_158	COC1=CC([C@@]23OC4=CC(O[Si](C)(C)C)=CC=C4[C@@H]([C@H]2O[C@@H]2O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)C(C)(C(C)=O)O3)=CC(O)=C1O	standard polar	2025-10-24	1446.19
Gas Chromatography	Castavinol C3_TMS_159	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1247.47
Gas Chromatography	Castavinol C3_TMS_160	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	510.002
Gas Chromatography	Castavinol C3_TMS_161	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2013.9
Gas Chromatography	Castavinol C3_TMS_162	C=C(O[Si](C)(C)C)C1(C)O[C@]2(C3=CC(O)=C(O)C(OC)=C3)OC3=CC(O[Si](C)(C)C)=CC=C3[C@H]1[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2092.87

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Castavinol C3

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Ramirez-Gaona M, Marcu A, Pon A, Guo AC, Sajed T, Wishart NA, Karu N, Djoumbou Feunang Y, Arndt D, Wishart DS: YMDB 2.0: a significantly expanded version of the yeast metabolome database. Nucleic Acids Res. 2017 Jan 4;45(D1):D440-D445. doi: 10.1093/nar/gkw1058. Epub 2016 Nov 28. [PubMed:27899612 ]

Showing metabocard for Castavinol C3 (MMDBc0033604)

MOL for #<Metabolite:0x00007f9ab9871d00>

3D MOL for #<Metabolite:0x00007f9ab9871d00>

3D SDF for #<Metabolite:0x00007f9ab9871d00>

3D-SDF for #<Metabolite:0x00007f9ab9871d00>

PDB for #<Metabolite:0x00007f9ab9871d00>

3D PDB for #<Metabolite:0x00007f9ab9871d00>

SMILES for #<Metabolite:0x00007f9ab9871d00>

INCHI for #<Metabolite:0x00007f9ab9871d00>

Structure for #<Metabolite:0x00007f9ab9871d00>

3D Structure for #<Metabolite:0x00007f9ab9871d00>