MiMeDB: Showing metabocard for Astilbin (MMDBc0033595)

Plant

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:55:05 UTC

Update Date

2024-04-30 20:13:29 UTC

Metabolite ID

MMDBc0033595

Metabolite Identification

Common Name

Astilbin

Description

Astilbin is found in alcoholic beverages. Astilbin is a constituent of Vitis vinifera (wine grape).Astilbin is a flavanonol, a type of flavonoid. It can be found in St John's wort (Hypericum perforatum, Clusiaceae, subfamily Hypericoideae, formerly often considered a full family Hypericaceae), in Dimorphandra mollis (Fava d'anta, Fabaceae), in the the leaves of Harungana madagascariensis (Hypericaceae), in the rhizome of Astilbe thunbergii, in the root of Astilbe odontophylla(Saxifragaceae) and in the rhizone of Smilax glabra (Chinaroot, Smilacaceae).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

Dihydroquercetin 3-O-rhamnoside
  Mrv1652309281722592D          

 32 35  0  0  1  0            999 V2000
   -0.1786   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5358   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503   -2.4749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2503   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -1.2374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5358   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0365    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6791   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6791   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2503   -4.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6 17  1  0  0  0  0
 17 18  2  0  0  0  0
  7 19  1  6  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 19 26  1  0  0  0  0
  4 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  1  0  0  0
M  END

HMDB0033850
     RDKit          3D
Astilbin
 54 57  0  0  0  0  0  0  0  0999 V2000
    3.4826   -0.6558   -1.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7602   -0.7695   -0.4719 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6030   -1.2381    0.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5778   -0.3323    0.1900 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4402   -0.8100    0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689   -0.8561   -0.0184 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0892   -2.3056   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4272   -3.2279    0.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475   -2.5937   -0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6160   -3.8492   -1.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7497   -4.9051   -1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8554   -4.0190   -1.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7487   -2.9860   -2.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9790   -3.2167   -2.6611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4366   -1.7490   -1.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2261   -1.5136   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9162   -0.2585   -0.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864   -0.1706    0.6004 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6083    1.1897    1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396    1.4629    2.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1754    2.7291    2.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753    3.7610    1.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8085    5.0501    2.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2364    3.5377    0.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    4.6237   -0.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5046    2.2398    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9527    0.9713    0.8305 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7976    2.0654   -0.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4195    0.8943    1.2630 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8323    2.1086    1.8106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1824    0.5871   -0.0186 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5410    0.6092    0.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0913    0.3867   -2.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4572   -0.7200   -2.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -1.4241   -2.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6106   -1.4699   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957   -0.0780   -0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4830   -0.4898   -1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730   -5.0378   -0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1089   -5.0037   -2.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9675   -3.0512   -3.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1295   -0.9226   -1.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.8439    1.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5176    0.6536    3.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0464    2.9240    3.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    5.2172    3.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2358    4.5029   -1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6217    2.1139   -0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721    1.1210    1.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5122    2.7029    0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5418    0.0437    1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6515    1.9287    2.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9738    1.3928   -0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9268   -0.3193    0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
  4 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  2  1  0
 18  6  1  0
 26 19  1  0
 16  9  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  6
  4 37  1  6
  6 38  1  6
 11 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 18 43  1  1
 20 44  1  0
 21 45  1  0
 23 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  1
 28 50  1  0
 29 51  1  1
 30 52  1  0
 31 53  1  6
 32 54  1  0
M  END

Dihydroquercetin 3-O-rhamnoside
  Mrv1652309281722592D          

 32 35  0  0  1  0            999 V2000
   -0.1786   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5358   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503   -2.4749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2503   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -1.2374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5358   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0365    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6791   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6791   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2503   -4.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6 17  1  0  0  0  0
 17 18  2  0  0  0  0
  7 19  1  6  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 19 26  1  0  0  0  0
  4 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033595

> <DATABASE_NAME>
MIME

> <SMILES>
C[C@@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21-/m0/s1

> <INCHI_KEY>
ZROGCCBNZBKLEL-MPRHSVQHSA-N

> <FORMULA>
C21H22O11

> <MOLECULAR_WEIGHT>
450.3928

> <EXACT_MASS>
450.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
42.85745817441533

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
0.79

> <JCHEM_LOGP>
1.0924585889999998

> <ALOGPS_LOGS>
-2.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.000676709656753

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.741338554809933

> <JCHEM_PKA_STRONGEST_BASIC>
-3.612182875000423

> <JCHEM_POLAR_SURFACE_AREA>
186.37

> <JCHEM_REFRACTIVITY>
105.47849999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.64e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
astilbin

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033850
     RDKit          3D
Astilbin
 54 57  0  0  0  0  0  0  0  0999 V2000
    3.4826   -0.6558   -1.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7602   -0.7695   -0.4719 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6030   -1.2381    0.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5778   -0.3323    0.1900 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4402   -0.8100    0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689   -0.8561   -0.0184 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0892   -2.3056   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4272   -3.2279    0.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475   -2.5937   -0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6160   -3.8492   -1.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7497   -4.9051   -1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8554   -4.0190   -1.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7487   -2.9860   -2.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9790   -3.2167   -2.6611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4366   -1.7490   -1.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2261   -1.5136   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9162   -0.2585   -0.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864   -0.1706    0.6004 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6083    1.1897    1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396    1.4629    2.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1754    2.7291    2.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753    3.7610    1.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8085    5.0501    2.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2364    3.5377    0.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    4.6237   -0.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5046    2.2398    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9527    0.9713    0.8305 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7976    2.0654   -0.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4195    0.8943    1.2630 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8323    2.1086    1.8106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1824    0.5871   -0.0186 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5410    0.6092    0.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0913    0.3867   -2.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4572   -0.7200   -2.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -1.4241   -2.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6106   -1.4699   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957   -0.0780   -0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4830   -0.4898   -1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730   -5.0378   -0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1089   -5.0037   -2.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9675   -3.0512   -3.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1295   -0.9226   -1.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.8439    1.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5176    0.6536    3.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0464    2.9240    3.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    5.2172    3.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2358    4.5029   -1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6217    2.1139   -0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721    1.1210    1.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5122    2.7029    0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5418    0.0437    1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6515    1.9287    2.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9738    1.3928   -0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9268   -0.3193    0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
  4 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  2  1  0
 18  6  1  0
 26 19  1  0
 16  9  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  6
  4 37  1  6
  6 38  1  6
 11 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 18 43  1  1
 20 44  1  0
 21 45  1  0
 23 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  1
 28 50  1  0
 29 51  1  1
 30 52  1  0
 31 53  1  6
 32 54  1  0
M  END

HEADER    PROTEIN                                 28-SEP-17   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Dihydroquercetin 3-O-rhamnoside                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-SEP-17         0                                  
HETATM    1  C   UNK     0      -0.333  -7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.000  -6.930   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.000  -5.390   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       2.334  -4.620   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       2.334  -3.080   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.000  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.000  -0.770   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.333   0.000   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.667  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.001   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.335  -0.770   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -5.668   0.000   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -4.335  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.001  -3.080   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -3.001  -4.620   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -1.667  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.333  -3.080   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.333  -4.620   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.334   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.668  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.001   0.000   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.335  -0.770   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       5.001   1.540   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.335   2.310   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       3.668   2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.334   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.668  -5.390   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.001  -4.620   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.668  -6.930   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       5.001  -7.700   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.334  -7.700   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.334  -9.240   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   31                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   27                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   17                                                  
CONECT    7    6    8   19                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   16                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    9   17                                                  
CONECT   17   16    6   18                                                  
CONECT   18   17                                                            
CONECT   19    7   20   26                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   19                                                       
CONECT   27    4   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29    2   32                                                  
CONECT   32   31                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

COMPND    HMDB0033850
HETATM    1  C1  UNL     1       3.483  -0.656  -1.980  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.760  -0.769  -0.472  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.603  -1.238   0.093  1.00  0.00           O  
HETATM    4  C3  UNL     1       1.578  -0.332   0.190  1.00  0.00           C  
HETATM    5  O2  UNL     1       0.440  -0.810   0.778  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.669  -0.856  -0.018  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.089  -2.306  -0.091  1.00  0.00           C  
HETATM    8  O3  UNL     1      -0.427  -3.228   0.389  1.00  0.00           O  
HETATM    9  C6  UNL     1      -2.347  -2.594  -0.769  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.616  -3.849  -1.260  1.00  0.00           C  
HETATM   11  O4  UNL     1      -1.750  -4.905  -1.159  1.00  0.00           O  
HETATM   12  C8  UNL     1      -3.855  -4.019  -1.893  1.00  0.00           C  
HETATM   13  C9  UNL     1      -4.749  -2.986  -2.015  1.00  0.00           C  
HETATM   14  O5  UNL     1      -5.979  -3.217  -2.661  1.00  0.00           O  
HETATM   15  C10 UNL     1      -4.437  -1.749  -1.509  1.00  0.00           C  
HETATM   16  C11 UNL     1      -3.226  -1.514  -0.870  1.00  0.00           C  
HETATM   17  O6  UNL     1      -2.916  -0.259  -0.360  1.00  0.00           O  
HETATM   18  C12 UNL     1      -1.886  -0.171   0.600  1.00  0.00           C  
HETATM   19  C13 UNL     1      -1.608   1.190   1.037  1.00  0.00           C  
HETATM   20  C14 UNL     1      -1.440   1.463   2.375  1.00  0.00           C  
HETATM   21  C15 UNL     1      -1.175   2.729   2.851  1.00  0.00           C  
HETATM   22  C16 UNL     1      -1.075   3.761   1.964  1.00  0.00           C  
HETATM   23  O7  UNL     1      -0.808   5.050   2.426  1.00  0.00           O  
HETATM   24  C17 UNL     1      -1.236   3.538   0.613  1.00  0.00           C  
HETATM   25  O8  UNL     1      -1.124   4.624  -0.239  1.00  0.00           O  
HETATM   26  C18 UNL     1      -1.505   2.240   0.154  1.00  0.00           C  
HETATM   27  C19 UNL     1       1.953   0.971   0.830  1.00  0.00           C  
HETATM   28  O9  UNL     1       1.798   2.065  -0.022  1.00  0.00           O  
HETATM   29  C20 UNL     1       3.420   0.894   1.263  1.00  0.00           C  
HETATM   30  O10 UNL     1       3.832   2.109   1.811  1.00  0.00           O  
HETATM   31  C21 UNL     1       4.182   0.587  -0.019  1.00  0.00           C  
HETATM   32  O11 UNL     1       5.541   0.609   0.233  1.00  0.00           O  
HETATM   33  H1  UNL     1       3.091   0.387  -2.173  1.00  0.00           H  
HETATM   34  H2  UNL     1       4.457  -0.720  -2.502  1.00  0.00           H  
HETATM   35  H3  UNL     1       2.766  -1.424  -2.298  1.00  0.00           H  
HETATM   36  H4  UNL     1       4.611  -1.470  -0.379  1.00  0.00           H  
HETATM   37  H5  UNL     1       1.296  -0.078  -0.878  1.00  0.00           H  
HETATM   38  H6  UNL     1      -0.483  -0.490  -1.049  1.00  0.00           H  
HETATM   39  H7  UNL     1      -0.873  -5.038  -0.791  1.00  0.00           H  
HETATM   40  H8  UNL     1      -4.109  -5.004  -2.299  1.00  0.00           H  
HETATM   41  H9  UNL     1      -5.968  -3.051  -3.666  1.00  0.00           H  
HETATM   42  H10 UNL     1      -5.129  -0.923  -1.596  1.00  0.00           H  
HETATM   43  H11 UNL     1      -2.197  -0.844   1.454  1.00  0.00           H  
HETATM   44  H12 UNL     1      -1.518   0.654   3.074  1.00  0.00           H  
HETATM   45  H13 UNL     1      -1.046   2.924   3.904  1.00  0.00           H  
HETATM   46  H14 UNL     1      -0.690   5.217   3.414  1.00  0.00           H  
HETATM   47  H15 UNL     1      -1.236   4.503  -1.246  1.00  0.00           H  
HETATM   48  H16 UNL     1      -1.622   2.114  -0.900  1.00  0.00           H  
HETATM   49  H17 UNL     1       1.372   1.121   1.754  1.00  0.00           H  
HETATM   50  H18 UNL     1       2.512   2.703   0.202  1.00  0.00           H  
HETATM   51  H19 UNL     1       3.542   0.044   1.934  1.00  0.00           H  
HETATM   52  H20 UNL     1       4.651   1.929   2.315  1.00  0.00           H  
HETATM   53  H21 UNL     1       3.974   1.393  -0.774  1.00  0.00           H  
HETATM   54  H22 UNL     1       5.927  -0.319   0.229  1.00  0.00           H  
CONECT    1    2   33   34   35
CONECT    2    3   31   36
CONECT    3    4
CONECT    4    5   27   37
CONECT    5    6
CONECT    6    7   18   38
CONECT    7    8    8    9
CONECT    9   10   10   16
CONECT   10   11   12
CONECT   11   39
CONECT   12   13   13   40
CONECT   13   14   15
CONECT   14   41
CONECT   15   16   16   42
CONECT   16   17
CONECT   17   18
CONECT   18   19   43
CONECT   19   20   20   26
CONECT   20   21   44
CONECT   21   22   22   45
CONECT   22   23   24
CONECT   23   46
CONECT   24   25   26   26
CONECT   25   47
CONECT   26   48
CONECT   27   28   29   49
CONECT   28   50
CONECT   29   30   31   51
CONECT   30   52
CONECT   31   32   53
CONECT   32   54
END

HMDB0033850
     RDKit          3D
Astilbin
 54 57  0  0  0  0  0  0  0  0999 V2000
    3.4826   -0.6558   -1.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7602   -0.7695   -0.4719 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6030   -1.2381    0.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5778   -0.3323    0.1900 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4402   -0.8100    0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689   -0.8561   -0.0184 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0892   -2.3056   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4272   -3.2279    0.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475   -2.5937   -0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6160   -3.8492   -1.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7497   -4.9051   -1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8554   -4.0190   -1.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7487   -2.9860   -2.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9790   -3.2167   -2.6611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4366   -1.7490   -1.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2261   -1.5136   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9162   -0.2585   -0.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864   -0.1706    0.6004 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6083    1.1897    1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396    1.4629    2.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1754    2.7291    2.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753    3.7610    1.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8085    5.0501    2.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2364    3.5377    0.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    4.6237   -0.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5046    2.2398    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9527    0.9713    0.8305 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7976    2.0654   -0.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4195    0.8943    1.2630 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8323    2.1086    1.8106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1824    0.5871   -0.0186 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5410    0.6092    0.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0913    0.3867   -2.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4572   -0.7200   -2.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -1.4241   -2.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6106   -1.4699   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957   -0.0780   -0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4830   -0.4898   -1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730   -5.0378   -0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1089   -5.0037   -2.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9675   -3.0512   -3.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1295   -0.9226   -1.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.8439    1.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5176    0.6536    3.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0464    2.9240    3.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    5.2172    3.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2358    4.5029   -1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6217    2.1139   -0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721    1.1210    1.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5122    2.7029    0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5418    0.0437    1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6515    1.9287    2.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9738    1.3928   -0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9268   -0.3193    0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
  4 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  2  1  0
 18  6  1  0
 26 19  1  0
 16  9  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  6
  4 37  1  6
  6 38  1  6
 11 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 18 43  1  1
 20 44  1  0
 21 45  1  0
 23 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  1
 28 50  1  0
 29 51  1  1
 30 52  1  0
 31 53  1  6
 32 54  1  0
M  END

Synonyms

Value	Source
(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one	ChEBI
(2R,3R)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one	ChEBI
Dihydroquercetin-3-O-alpha-lrhap	ChEBI
(2R,3R)-3-[(6-Deoxy-a-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one	Generator
(2R,3R)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one	Generator
Dihydroquercetin-3-O-a-lrhap	Generator
Dihydroquercetin-3-O-α-lrhap	Generator
(2R-cis)-Isomer OF astilbin	MeSH
(2S-cis)-Isomer OF astilbin	MeSH
3-0-alpha-1-Rhamnosyl-(2R,3R)-dihydroquercetin	MeSH
Isoastilbin	MeSH
Neoisoastilbin	MeSH

Molecular Formula

C₂₁H₂₂O₁₁

Average Mass

450.3928

Monoisotopic Mass

450.116211546

IUPAC Name

(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

astilbin

CAS Registry Number

29838-67-3

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21-/m0/s1

InChI Key

ZROGCCBNZBKLEL-MPRHSVQHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Hydroxyflavonoid
Flavanonol
Flavanone
7-hydroxyflavonoid
5-hydroxyflavonoid
4'-hydroxyflavonoid
3'-hydroxyflavonoid
Flavan
Hexose monosaccharide
Chromone
O-glycosyl compound
Glycosyl compound
Benzopyran
1-benzopyran
Chromane
Aryl alkyl ketone
Aryl ketone
Catechol
1-hydroxy-4-unsubstituted benzenoid
Phenol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Oxane
Monosaccharide
Vinylogous acid
Secondary alcohol
Ketone
Ether
Polyol
Organoheterocyclic compound
Acetal
Oxacycle
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

monosaccharide derivative (CHEBI:38200 )
3'-hydroxyflavanones (CHEBI:38200 )
alpha-L-rhamnoside (CHEBI:38200 )
flavanone glycoside (CHEBI:38200 )
tetrahydroxyflavanone (CHEBI:38200 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	3.64 g/L	ALOGPS
logP	0.79	ALOGPS
logP	1.09	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	7.74	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	186.37 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	105.48 m³·mol⁻¹	ChemAxon
Polarizability	42.86 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-053i-9202300000-af284319f9f7daef6563	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (3 TMS) - 70eV, Positive	splash10-0udj-9400018000-46752fa654776148b695	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , negative	splash10-0udj-0931000000-d3051bed4ea8c591959b	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , negative	splash10-0udi-0941200000-7752c995c6f2cbdea0b4	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - , positive	splash10-0abi-4973000000-4834cf38b559208d69ef	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0pb9-0339800000-cf9f21b3c745b539fb5d	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4r-0967100000-0aa725c6044e8b4d50e4	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-1921000000-a6239f11b462739244cc	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0f6t-2316900000-d0ae694f24bb821e3490	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-2938200000-836dd24906777ec601ff	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0zg0-3911000000-5af2480f5105a4d92d05	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-0000900000-6ceaa319f9881ee204c6	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0f6t-0900800000-ebd5867b430004ca2015	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0002-0591000000-2a8003bf40887330b9a0	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0000900000-544f8fdc0eff0e723cdc	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900400000-2e68a2d554ff6a2f382e	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-0920000000-1208f4cb8a69aece8038	2021-09-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-21	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	254.0
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	127.8
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	336.6
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	352.2
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	349.9
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	175.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	1578.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	371.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	297.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	142.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	394.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	143.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	91.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (void)	2025-10-24	267.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	366.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	64.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	228.7
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1160.3
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	635.7

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Astilbin_TMS_1	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2818.95
Gas Chromatography	Astilbin_TMS_2	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1796.36
Gas Chromatography	Astilbin_TMS_3	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1759.95
Gas Chromatography	Astilbin_TMS_4	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2269.05
Gas Chromatography	Astilbin_TMS_5	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1865.54
Gas Chromatography	Astilbin_TMS_6	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1524.89
Gas Chromatography	Astilbin_TMS_7	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1958.46
Gas Chromatography	Astilbin_TMS_8	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1946.29
Gas Chromatography	Astilbin_TMS_9	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1728.86
Gas Chromatography	Astilbin_TMS_10	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2664.36
Gas Chromatography	Astilbin_TMS_11	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1800.19
Gas Chromatography	Astilbin_TMS_12	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1880.31
Gas Chromatography	Astilbin_TMS_13	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2183.62
Gas Chromatography	Astilbin_TMS_14	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2420.12
Gas Chromatography	Astilbin_TMS_15	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2507.05
Gas Chromatography	Astilbin_TMS_16	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2483.04
Gas Chromatography	Astilbin_TMS_17	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1900.04
Gas Chromatography	Astilbin_TMS_18	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1274.04
Gas Chromatography	Astilbin_TMS_19	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1422.22
Gas Chromatography	Astilbin_TMS_20	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2505.11
Gas Chromatography	Astilbin_TMS_21	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2315.17
Gas Chromatography	Astilbin_TMS_22	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1590.91
Gas Chromatography	Astilbin_TMS_23	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2576.58
Gas Chromatography	Astilbin_TMS_24	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2491.21
Gas Chromatography	Astilbin_TMS_25	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1903.49
Gas Chromatography	Astilbin_TMS_26	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2931.93
Gas Chromatography	Astilbin_TMS_27	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1957.05
Gas Chromatography	Astilbin_TMS_28	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1531.92
Gas Chromatography	Astilbin_TMS_29	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2887.31
Gas Chromatography	Astilbin_TMS_30	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	-96.7763
Gas Chromatography	Astilbin_TMS_31	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2330.14
Gas Chromatography	Astilbin_TMS_32	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2551.3
Gas Chromatography	Astilbin_TMS_33	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2129.1
Gas Chromatography	Astilbin_TMS_34	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1506.16
Gas Chromatography	Astilbin_TMS_35	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	729.802
Gas Chromatography	Astilbin_TMS_36	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2088.32
Gas Chromatography	Astilbin_TMS_37	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2978.86
Gas Chromatography	Astilbin_TMS_38	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1334.47
Gas Chromatography	Astilbin_TMS_39	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2087.9
Gas Chromatography	Astilbin_TMS_40	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1481.16
Gas Chromatography	Astilbin_TMS_41	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1673.26
Gas Chromatography	Astilbin_TMS_42	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1681.25
Gas Chromatography	Astilbin_TMS_43	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2442.48
Gas Chromatography	Astilbin_TMS_44	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	675.23
Gas Chromatography	Astilbin_TMS_45	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1229.33
Gas Chromatography	Astilbin_TMS_46	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2878.95
Gas Chromatography	Astilbin_TMS_47	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2846.86
Gas Chromatography	Astilbin_TMS_48	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2045.99
Gas Chromatography	Astilbin_TMS_49	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2939.39
Gas Chromatography	Astilbin_TMS_50	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2059.68
Gas Chromatography	Astilbin_TMS_51	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2580.41
Gas Chromatography	Astilbin_TMS_52	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1478.88
Gas Chromatography	Astilbin_TMS_53	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1366.4
Gas Chromatography	Astilbin_TMS_54	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1868.42
Gas Chromatography	Astilbin_TMS_55	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2985.23
Gas Chromatography	Astilbin_TMS_56	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1503.67
Gas Chromatography	Astilbin_TMS_57	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1491.58
Gas Chromatography	Astilbin_TMS_58	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3119.05
Gas Chromatography	Astilbin_TMS_59	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2661.24
Gas Chromatography	Astilbin_TMS_60	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1761.62
Gas Chromatography	Astilbin_TMS_61	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2040.25
Gas Chromatography	Astilbin_TMS_62	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1462.53
Gas Chromatography	Astilbin_TMS_63	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[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	1579.71
Gas Chromatography	Astilbin_TMS_64	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2912.55
Gas Chromatography	Astilbin_TMS_65	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1325.72
Gas Chromatography	Astilbin_TMS_66	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2357.69
Gas Chromatography	Astilbin_TMS_67	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2105.92
Gas Chromatography	Astilbin_TMS_68	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2666.88
Gas Chromatography	Astilbin_TMS_69	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1897.78
Gas Chromatography	Astilbin_TMS_70	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1702.35
Gas Chromatography	Astilbin_TMS_71	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2583.19
Gas Chromatography	Astilbin_TMS_72	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1170.52
Gas Chromatography	Astilbin_TMS_73	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	510.902
Gas Chromatography	Astilbin_TMS_74	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1038.41
Gas Chromatography	Astilbin_TMS_75	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2294.33
Gas Chromatography	Astilbin_TMS_76	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3099.27
Gas Chromatography	Astilbin_TMS_77	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2398.65
Gas Chromatography	Astilbin_TMS_78	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1285.29
Gas Chromatography	Astilbin_TMS_79	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2299.97
Gas Chromatography	Astilbin_TMS_80	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2517.14
Gas Chromatography	Astilbin_TMS_81	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1911.98
Gas Chromatography	Astilbin_TMS_82	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1438.72
Gas Chromatography	Astilbin_TMS_83	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[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	2963.77
Gas Chromatography	Astilbin_TMS_84	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2845.08
Gas Chromatography	Astilbin_TMS_85	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1059.02
Gas Chromatography	Astilbin_TMS_86	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2344.8
Gas Chromatography	Astilbin_TMS_87	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2034.23
Gas Chromatography	Astilbin_TMS_88	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2039.19
Gas Chromatography	Astilbin_TMS_89	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1615.74
Gas Chromatography	Astilbin_TMS_90	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2900.52
Gas Chromatography	Astilbin_TMS_91	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2671.45
Gas Chromatography	Astilbin_TMS_92	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1367.44
Gas Chromatography	Astilbin_TMS_93	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[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	2395.19
Gas Chromatography	Astilbin_TMS_94	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2490.38
Gas Chromatography	Astilbin_TMS_95	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1408.57
Gas Chromatography	Astilbin_TMS_96	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	711.633
Gas Chromatography	Astilbin_TMS_97	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[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	2612.63
Gas Chromatography	Astilbin_TMS_98	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[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	2264.31
Gas Chromatography	Astilbin_TMS_99	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	3765.86
Gas Chromatography	Astilbin_TMS_100	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2422.52
Gas Chromatography	Astilbin_TMS_101	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1247.54
Gas Chromatography	Astilbin_TMS_102	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	721.382
Gas Chromatography	Astilbin_TMS_103	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3057.19
Gas Chromatography	Astilbin_TMS_104	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2428.76
Gas Chromatography	Astilbin_TMS_105	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2035.97
Gas Chromatography	Astilbin_TMS_106	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2479.73
Gas Chromatography	Astilbin_TMS_107	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2458.05
Gas Chromatography	Astilbin_TMS_108	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[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	2596.05
Gas Chromatography	Astilbin_TMS_109	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1174.19
Gas Chromatography	Astilbin_TMS_110	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1981.72
Gas Chromatography	Astilbin_TMS_111	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3179.43
Gas Chromatography	Astilbin_TMS_112	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[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	886.785
Gas Chromatography	Astilbin_TMS_113	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[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	1267.43
Gas Chromatography	Astilbin_TMS_114	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2226.05
Gas Chromatography	Astilbin_TMS_115	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3076.63
Gas Chromatography	Astilbin_TMS_116	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2409.28
Gas Chromatography	Astilbin_TMS_117	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[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	1935.84
Gas Chromatography	Astilbin_TMS_118	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[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	1376.6
Gas Chromatography	Astilbin_TMS_119	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[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	833.281
Gas Chromatography	Astilbin_TMS_120	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	2080.04
Gas Chromatography	Astilbin_TMS_121	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2980.91
Gas Chromatography	Astilbin_TMS_122	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1156.98
Gas Chromatography	Astilbin_TMS_123	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[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	1833.07
Gas Chromatography	Astilbin_TMS_124	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[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	2428.58
Gas Chromatography	Astilbin_TMS_125	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[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	2536.93
Gas Chromatography	Astilbin_TMS_126	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[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	3275.89
Gas Chromatography	Astilbin_TMS_1	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1923.44
Gas Chromatography	Astilbin_TMS_2	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2131.81
Gas Chromatography	Astilbin_TMS_3	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2411.66
Gas Chromatography	Astilbin_TMS_4	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1665.17
Gas Chromatography	Astilbin_TMS_5	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1987.81
Gas Chromatography	Astilbin_TMS_6	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2621.03
Gas Chromatography	Astilbin_TMS_7	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1556.76
Gas Chromatography	Astilbin_TMS_8	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1320.75
Gas Chromatography	Astilbin_TMS_9	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1886.62
Gas Chromatography	Astilbin_TMS_10	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1635.6
Gas Chromatography	Astilbin_TMS_11	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2578.77
Gas Chromatography	Astilbin_TMS_12	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2783.97
Gas Chromatography	Astilbin_TMS_13	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1669.51
Gas Chromatography	Astilbin_TMS_14	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1841.63
Gas Chromatography	Astilbin_TMS_15	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2059.33
Gas Chromatography	Astilbin_TMS_16	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	742.536
Gas Chromatography	Astilbin_TMS_17	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1656.81
Gas Chromatography	Astilbin_TMS_18	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2148.96
Gas Chromatography	Astilbin_TMS_19	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1832.69
Gas Chromatography	Astilbin_TMS_20	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1969.02
Gas Chromatography	Astilbin_TMS_21	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1486.23
Gas Chromatography	Astilbin_TMS_22	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2419.13
Gas Chromatography	Astilbin_TMS_23	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2250.83
Gas Chromatography	Astilbin_TMS_24	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	3431.7
Gas Chromatography	Astilbin_TMS_25	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2028.15
Gas Chromatography	Astilbin_TMS_26	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2280.78
Gas Chromatography	Astilbin_TMS_27	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2831.13
Gas Chromatography	Astilbin_TMS_28	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1038.55
Gas Chromatography	Astilbin_TMS_29	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2143.6
Gas Chromatography	Astilbin_TMS_30	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	1442.89
Gas Chromatography	Astilbin_TMS_31	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	3270.56
Gas Chromatography	Astilbin_TMS_32	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1815.69
Gas Chromatography	Astilbin_TMS_33	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2958.92
Gas Chromatography	Astilbin_TMS_34	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2055.05
Gas Chromatography	Astilbin_TMS_35	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2468.97
Gas Chromatography	Astilbin_TMS_36	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1980.78
Gas Chromatography	Astilbin_TMS_37	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2748.4
Gas Chromatography	Astilbin_TMS_38	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2025.55
Gas Chromatography	Astilbin_TMS_39	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2617.68
Gas Chromatography	Astilbin_TMS_40	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	830.682
Gas Chromatography	Astilbin_TMS_41	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	3037.05
Gas Chromatography	Astilbin_TMS_42	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1381.17
Gas Chromatography	Astilbin_TMS_43	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1824.4
Gas Chromatography	Astilbin_TMS_44	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2538.45
Gas Chromatography	Astilbin_TMS_45	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2182.22
Gas Chromatography	Astilbin_TMS_46	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2762.56
Gas Chromatography	Astilbin_TMS_47	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2935.99
Gas Chromatography	Astilbin_TMS_48	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2656.22
Gas Chromatography	Astilbin_TMS_49	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1321.3
Gas Chromatography	Astilbin_TMS_50	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2306.13
Gas Chromatography	Astilbin_TMS_51	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1985.54
Gas Chromatography	Astilbin_TMS_52	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2237.33
Gas Chromatography	Astilbin_TMS_53	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3153.46
Gas Chromatography	Astilbin_TMS_54	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1290.82
Gas Chromatography	Astilbin_TMS_55	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2600.11
Gas Chromatography	Astilbin_TMS_56	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2580.72
Gas Chromatography	Astilbin_TMS_57	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1761.11
Gas Chromatography	Astilbin_TMS_58	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	794.134
Gas Chromatography	Astilbin_TMS_59	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1633.76
Gas Chromatography	Astilbin_TMS_60	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2675.06
Gas Chromatography	Astilbin_TMS_61	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3084.5
Gas Chromatography	Astilbin_TMS_62	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2186.68
Gas Chromatography	Astilbin_TMS_63	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[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	1560.72
Gas Chromatography	Astilbin_TMS_64	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	711.034
Gas Chromatography	Astilbin_TMS_65	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2065.26
Gas Chromatography	Astilbin_TMS_66	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	-78.4645
Gas Chromatography	Astilbin_TMS_67	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2827.38
Gas Chromatography	Astilbin_TMS_68	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2418.08
Gas Chromatography	Astilbin_TMS_69	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2445.27
Gas Chromatography	Astilbin_TMS_70	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2345.15
Gas Chromatography	Astilbin_TMS_71	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2123.77
Gas Chromatography	Astilbin_TMS_72	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	872.65
Gas Chromatography	Astilbin_TMS_73	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2032.37
Gas Chromatography	Astilbin_TMS_74	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1965.29
Gas Chromatography	Astilbin_TMS_75	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2459.76
Gas Chromatography	Astilbin_TMS_76	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2567.52
Gas Chromatography	Astilbin_TMS_77	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1358.9
Gas Chromatography	Astilbin_TMS_78	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2482.92
Gas Chromatography	Astilbin_TMS_79	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1574.11
Gas Chromatography	Astilbin_TMS_80	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1825.62
Gas Chromatography	Astilbin_TMS_81	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1216.91
Gas Chromatography	Astilbin_TMS_82	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1966.4
Gas Chromatography	Astilbin_TMS_83	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[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	2732.97
Gas Chromatography	Astilbin_TMS_84	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1677.22
Gas Chromatography	Astilbin_TMS_85	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2561.14
Gas Chromatography	Astilbin_TMS_86	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2653.82
Gas Chromatography	Astilbin_TMS_87	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2748.58
Gas Chromatography	Astilbin_TMS_88	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1130.77
Gas Chromatography	Astilbin_TMS_89	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1824.66
Gas Chromatography	Astilbin_TMS_90	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	517.483
Gas Chromatography	Astilbin_TMS_91	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2167.24
Gas Chromatography	Astilbin_TMS_92	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1018.62
Gas Chromatography	Astilbin_TMS_93	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[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	754.677
Gas Chromatography	Astilbin_TMS_94	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1834.48
Gas Chromatography	Astilbin_TMS_95	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1330.65
Gas Chromatography	Astilbin_TMS_96	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2276.09
Gas Chromatography	Astilbin_TMS_97	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[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	2078.96
Gas Chromatography	Astilbin_TMS_98	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[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	2804.05
Gas Chromatography	Astilbin_TMS_99	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	1813.63
Gas Chromatography	Astilbin_TMS_100	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2455.3
Gas Chromatography	Astilbin_TMS_101	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2684.09
Gas Chromatography	Astilbin_TMS_102	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2556.59
Gas Chromatography	Astilbin_TMS_103	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1306.07
Gas Chromatography	Astilbin_TMS_104	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2280.38
Gas Chromatography	Astilbin_TMS_105	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1165.27
Gas Chromatography	Astilbin_TMS_106	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	3798.41
Gas Chromatography	Astilbin_TMS_107	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1787.47
Gas Chromatography	Astilbin_TMS_108	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[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	2927.35
Gas Chromatography	Astilbin_TMS_109	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1884.51
Gas Chromatography	Astilbin_TMS_110	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2508.69
Gas Chromatography	Astilbin_TMS_111	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2319.5
Gas Chromatography	Astilbin_TMS_112	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[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	2155.93
Gas Chromatography	Astilbin_TMS_113	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[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	3226.23
Gas Chromatography	Astilbin_TMS_114	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1173.25
Gas Chromatography	Astilbin_TMS_115	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2743.94
Gas Chromatography	Astilbin_TMS_116	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1129.94
Gas Chromatography	Astilbin_TMS_117	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[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	1684.13
Gas Chromatography	Astilbin_TMS_118	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[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	3456.36
Gas Chromatography	Astilbin_TMS_119	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[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	3168.86
Gas Chromatography	Astilbin_TMS_120	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2003.97
Gas Chromatography	Astilbin_TMS_121	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2444.68
Gas Chromatography	Astilbin_TMS_122	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	873.397
Gas Chromatography	Astilbin_TMS_123	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[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	2120.01
Gas Chromatography	Astilbin_TMS_124	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[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	2271.42
Gas Chromatography	Astilbin_TMS_125	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[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	1622.98
Gas Chromatography	Astilbin_TMS_126	C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[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	2768.33

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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

Food Exposures

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

HMDB0033850

DrugBank ID

Not Available

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Astilbin

METLIN ID

Not Available

PubChem Compound

119258

PDB ID

Not Available

ChEBI ID

38200

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 ]
Yannai, Shmuel (2004). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. Boca Raton: Chapman & Hall/CRC..

Showing metabocard for Astilbin (MMDBc0033595)

MOL for #<Metabolite:0x00007f9af3154678>

3D MOL for #<Metabolite:0x00007f9af3154678>

3D SDF for #<Metabolite:0x00007f9af3154678>

3D-SDF for #<Metabolite:0x00007f9af3154678>

PDB for #<Metabolite:0x00007f9af3154678>

3D PDB for #<Metabolite:0x00007f9af3154678>

SMILES for #<Metabolite:0x00007f9af3154678>

INCHI for #<Metabolite:0x00007f9af3154678>

Structure for #<Metabolite:0x00007f9af3154678>

3D Structure for #<Metabolite:0x00007f9af3154678>