MiMeDB: Showing metabocard for Astringin (MMDBc0033596)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:55:07 UTC

Update Date

2022-08-31 22:36:57 UTC

Metabolite ID

MMDBc0033596

Metabolite Identification

Common Name

Astringin

Description

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309272007392D          

 29 31  0  0  0  0            999 V2000
 9988.5438 9990.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.4056 9990.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.1200 9990.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5529 9992.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.9817 9991.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9989.9743 9987.9957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9987.1133 9987.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9986.3981 9987.5838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9987.1133 9991.2986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9985.6829 9990.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9985.6829 9988.8217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9987.1133 9990.4731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9986.3988 9990.0606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9986.3988 9989.2356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9987.1133 9988.8232    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9987.8277 9989.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9987.8277 9990.0606    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9989.9741 9990.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.2597 9990.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.2597 9989.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.9741 9988.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.6886 9989.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.6886 9990.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2654 9991.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5509 9991.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.8365 9991.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.8364 9990.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5508 9990.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2654 9990.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  7  8  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17  1  1  6  0  0  0
 15  7  1  6  0  0  0
 14 11  1  1  0  0  0
 13 10  1  6  0  0  0
 12  9  1  1  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
  3 27  1  0  0  0  0
 25  4  1  0  0  0  0
 24  5  1  0  0  0  0
  1 19  1  0  0  0  0
 23  2  1  0  0  0  0
 21  6  1  0  0  0  0
M  END


  Mrv1652309272007392D          

 29 31  0  0  0  0            999 V2000
 9988.5438 9990.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.4056 9990.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.1200 9990.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5529 9992.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.9817 9991.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9989.9743 9987.9957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9987.1133 9987.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9986.3981 9987.5838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9987.1133 9991.2986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9985.6829 9990.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9985.6829 9988.8217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9987.1133 9990.4731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9986.3988 9990.0606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9986.3988 9989.2356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9987.1133 9988.8232    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9987.8277 9989.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9987.8277 9990.0606    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9989.9741 9990.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.2597 9990.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.2597 9989.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.9741 9988.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.6886 9989.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.6886 9990.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2654 9991.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5509 9991.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.8365 9991.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.8364 9990.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5508 9990.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2654 9990.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  7  8  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17  1  1  6  0  0  0
 15  7  1  6  0  0  0
 14 11  1  1  0  0  0
 13 10  1  6  0  0  0
 12  9  1  1  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
  3 27  1  0  0  0  0
 25  4  1  0  0  0  0
 24  5  1  0  0  0  0
  1 19  1  0  0  0  0
 23  2  1  0  0  0  0
 21  6  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033596

> <DATABASE_NAME>
MIME

> <SMILES>
OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC(O)=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1

> <INCHI_KEY>
PERPNFLGJXUDDW-CUYWLFDKSA-N

> <FORMULA>
C20H22O9

> <MOLECULAR_WEIGHT>
406.387

> <EXACT_MASS>
406.126382288

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
40.838151086985405

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-2-{3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
0.44

> <JCHEM_LOGP>
0.8307574713333334

> <ALOGPS_LOGS>
-2.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.096600192142327

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.492505059442484

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092343730565

> <JCHEM_POLAR_SURFACE_AREA>
160.07

> <JCHEM_REFRACTIVITY>
101.58080000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.35e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
astringin

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  O   UNK     0    8645.2828648.882   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0    8650.6248648.882   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8651.9578648.115   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8654.6328652.740   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8657.2998651.198   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8647.9528644.259   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8642.6128644.259   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    8641.2768643.490   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8642.6128650.424   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8639.9418648.882   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8639.9418645.800   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8642.6128648.883   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8641.2788648.113   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8641.2788646.573   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8642.6128645.803   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0    8643.9458646.573   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0    8643.9458648.113   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8647.9528648.883   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8646.6188648.113   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8646.6188646.573   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8647.9528645.803   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8649.2858646.573   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8649.2858648.113   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8655.9628650.424   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8654.6288651.194   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8653.2958650.424   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8653.2958648.884   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8654.6288648.114   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8655.9628648.884   0.000  0.00  0.00           C+0
CONECT    1   17   19                                                       
CONECT    2    3   23                                                       
CONECT    3    2   27                                                       
CONECT    4   25                                                            
CONECT    5   24                                                            
CONECT    6   21                                                            
CONECT    7    8   15                                                       
CONECT    8    7                                                            
CONECT    9   12                                                            
CONECT   10   13                                                            
CONECT   11   14                                                            
CONECT   12   13   17    9                                                  
CONECT   13   12   14   10                                                  
CONECT   14   13   15   11                                                  
CONECT   15   14   16    7                                                  
CONECT   16   15   17                                                       
CONECT   17   12   16    1                                                  
CONECT   18   19   23                                                       
CONECT   19   18   20    1                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22    6                                                  
CONECT   22   21   23                                                       
CONECT   23   22   18    2                                                  
CONECT   24   25   29    5                                                  
CONECT   25   24   26    4                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28    3                                                  
CONECT   28   27   29                                                       
CONECT   29   28   24                                                       
MASTER        0    0    0    0    0    0    0    0   29    0   62    0
END

Synonyms

Value	Source
(e)-Astringin	ChEBI
3,4,3',5'-Tetrahydroxystilbene 3'-glucoside	ChEBI
Piceatannol 3-beta-D-glucoside	ChEBI
Piceatannol 3-beta-glucoside	ChEBI
Piceatannol 3-O-beta-D-glucoside	ChEBI
Piceatannol 3-b-D-glucoside	Generator
Piceatannol 3-β-D-glucoside	Generator
Piceatannol 3-b-glucoside	Generator
Piceatannol 3-β-glucoside	Generator
Piceatannol 3-O-b-D-glucoside	Generator
Piceatannol 3-O-β-D-glucoside	Generator
trans-Astringin	MeSH
3-[(1E)-2-(3,4-Dihydroxyphenyl)ethenyl]-5-hydroxyphenyl beta-D-glucopyranoside	PhytoBank
3-[(1E)-2-(3,4-Dihydroxyphenyl)ethenyl]-5-hydroxyphenyl β-D-glucopyranoside	PhytoBank
3,4,3’,5’-Tetrahydroxystilbene 3’-glucoside	PhytoBank

Molecular Formula

C₂₀H₂₂O₉

Average Mass

406.387

Monoisotopic Mass

406.126382288

IUPAC Name

(2S,3R,4S,5S,6R)-2-{3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

astringin

CAS Registry Number

29884-49-9

SMILES

OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC(O)=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1

InChI Key

PERPNFLGJXUDDW-CUYWLFDKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Stilbenes

Sub Class

Stilbene glycosides

Direct Parent

Stilbene glycosides

Alternative Parents

Substituents

Stilbene glycoside
Phenolic glycoside
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Phenoxy compound
Phenol ether
Catechol
Styrene
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Oxane
Monosaccharide
Benzenoid
Monocyclic benzene moiety
Secondary alcohol
Acetal
Oxacycle
Organoheterocyclic compound
Polyol
Alcohol
Hydrocarbon derivative
Primary alcohol
Organic oxygen compound
Organooxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

beta-D-glucoside (CHEBI:2899 )
monosaccharide derivative (CHEBI:2899 )
polyphenol (CHEBI:2899 )
stilbenoid (CHEBI:2899 )
Diphenyl ethers, biphenyls, dibenzyls and stilbenes (C10245 )
Stilbenes (C10245 )
Diphenyl ethers, biphenyls, dibenzyls and stilbenes (LMPK13090007 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.74 g/L	ALOGPS
logP	0.44	ALOGPS
logP	0.83	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	8.49	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	160.07 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	101.58 m³·mol⁻¹	ChemAxon
Polarizability	40.84 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	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 (TMS_4_12) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-052b-0192200000-47324738bbf1286d03e8	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-0290000000-c10923f618c680272a58	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-054t-2960000000-1cd4da997a84c634304c	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4l-2283900000-8cfa7ce7735757fa99c2	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-1191000000-85c4864c95b9ef5fc1fe	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-3390000000-6cf74ee3ea731f4818ab	2016-09-12	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	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	259.2
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	135.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	330.1
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	340.7
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	374.7
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	186.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	1304.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	443.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	271.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	145.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	313.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	158.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	107.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	136.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	386.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	76.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	238.1
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1045.7
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	669.8

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Astringin_TMS_1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	818.475
Gas Chromatography	Astringin_TMS_2	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)=CC=C1O	standard non polar	2025-10-24	1123.11
Gas Chromatography	Astringin_TMS_3	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1O	standard non polar	2025-10-24	2584.73
Gas Chromatography	Astringin_TMS_4	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1	standard non polar	2025-10-24	2412.35
Gas Chromatography	Astringin_TMS_5	C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2485.25
Gas Chromatography	Astringin_TMS_6	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)O[C@H](CO)[C@H]1O	standard non polar	2025-10-24	1152.88
Gas Chromatography	Astringin_TMS_7	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O)[C@H]1O	standard non polar	2025-10-24	2782.54
Gas Chromatography	Astringin_TMS_8	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1740.69
Gas Chromatography	Astringin_TMS_9	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2689.72
Gas Chromatography	Astringin_TMS_10	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2419.41
Gas Chromatography	Astringin_TMS_11	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1593.29
Gas Chromatography	Astringin_TMS_12	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1221.33
Gas Chromatography	Astringin_TMS_13	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2239.39
Gas Chromatography	Astringin_TMS_14	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1	standard non polar	2025-10-24	474.847
Gas Chromatography	Astringin_TMS_15	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C2)=CC=C1O	standard non polar	2025-10-24	1315.6
Gas Chromatography	Astringin_TMS_16	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)=CC=C1O	standard non polar	2025-10-24	2228.5
Gas Chromatography	Astringin_TMS_17	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)=CC=C1O	standard non polar	2025-10-24	1878.51
Gas Chromatography	Astringin_TMS_18	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	1280.89
Gas Chromatography	Astringin_TMS_19	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1	standard non polar	2025-10-24	2425.49
Gas Chromatography	Astringin_TMS_20	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C2)C=C1O	standard non polar	2025-10-24	2008.15
Gas Chromatography	Astringin_TMS_21	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)C=C1O	standard non polar	2025-10-24	2897.14
Gas Chromatography	Astringin_TMS_22	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)C=C1O	standard non polar	2025-10-24	1708.94
Gas Chromatography	Astringin_TMS_23	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1	standard non polar	2025-10-24	2189.72
Gas Chromatography	Astringin_TMS_24	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard non polar	2025-10-24	2464.05
Gas Chromatography	Astringin_TMS_25	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	2544.8
Gas Chromatography	Astringin_TMS_26	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)O[C@@H]1CO	standard non polar	2025-10-24	3033.2
Gas Chromatography	Astringin_TMS_27	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)O[C@H](CO)[C@H]1O	standard non polar	2025-10-24	2596.48
Gas Chromatography	Astringin_TMS_28	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2121.07
Gas Chromatography	Astringin_TMS_29	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	758.763
Gas Chromatography	Astringin_TMS_30	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2075.69
Gas Chromatography	Astringin_TMS_31	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(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	2444.58
Gas Chromatography	Astringin_TMS_32	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(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	513.047
Gas Chromatography	Astringin_TMS_33	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(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	1506.85
Gas Chromatography	Astringin_TMS_34	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2319.41
Gas Chromatography	Astringin_TMS_35	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1218.61
Gas Chromatography	Astringin_TMS_36	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1531.42
Gas Chromatography	Astringin_TMS_37	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2656.02
Gas Chromatography	Astringin_TMS_38	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2179.11
Gas Chromatography	Astringin_TMS_39	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2097.08
Gas Chromatography	Astringin_TMS_40	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2232.31
Gas Chromatography	Astringin_TMS_41	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	3085.85
Gas Chromatography	Astringin_TMS_42	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1705.16
Gas Chromatography	Astringin_TMS_43	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2422.44
Gas Chromatography	Astringin_TMS_44	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1	standard non polar	2025-10-24	1424.84
Gas Chromatography	Astringin_TMS_45	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1	standard non polar	2025-10-24	2205.06
Gas Chromatography	Astringin_TMS_46	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard non polar	2025-10-24	2028.21
Gas Chromatography	Astringin_TMS_47	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	2533.22
Gas Chromatography	Astringin_TMS_48	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)=CC=C1O	standard non polar	2025-10-24	1904.2
Gas Chromatography	Astringin_TMS_49	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)=CC=C1O	standard non polar	2025-10-24	2092.91
Gas Chromatography	Astringin_TMS_50	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C2)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	1757.48
Gas Chromatography	Astringin_TMS_51	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)=CC=C1O	standard non polar	2025-10-24	988.787
Gas Chromatography	Astringin_TMS_52	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	1290.66
Gas Chromatography	Astringin_TMS_53	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	3398.14
Gas Chromatography	Astringin_TMS_54	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1	standard non polar	2025-10-24	2346.5
Gas Chromatography	Astringin_TMS_55	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard non polar	2025-10-24	2315.6
Gas Chromatography	Astringin_TMS_56	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	3358.24
Gas Chromatography	Astringin_TMS_57	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)C=C1O	standard non polar	2025-10-24	2455.0
Gas Chromatography	Astringin_TMS_58	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)C=C1O	standard non polar	2025-10-24	2051.1
Gas Chromatography	Astringin_TMS_59	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)C=C1O	standard non polar	2025-10-24	791.063
Gas Chromatography	Astringin_TMS_60	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard non polar	2025-10-24	727.734
Gas Chromatography	Astringin_TMS_61	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	2121.4
Gas Chromatography	Astringin_TMS_62	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1117.59
Gas Chromatography	Astringin_TMS_63	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2539.05
Gas Chromatography	Astringin_TMS_64	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1342.05
Gas Chromatography	Astringin_TMS_65	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(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	868.522
Gas Chromatography	Astringin_TMS_66	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(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	2070.69
Gas Chromatography	Astringin_TMS_67	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(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	1815.78
Gas Chromatography	Astringin_TMS_68	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(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	2840.06
Gas Chromatography	Astringin_TMS_69	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(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	1929.43
Gas Chromatography	Astringin_TMS_70	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(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	2578.63
Gas Chromatography	Astringin_TMS_71	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(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	1924.65
Gas Chromatography	Astringin_TMS_72	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(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	2537.16
Gas Chromatography	Astringin_TMS_73	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(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	995.076
Gas Chromatography	Astringin_TMS_74	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1702.16
Gas Chromatography	Astringin_TMS_75	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2095.07
Gas Chromatography	Astringin_TMS_76	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	3012.72
Gas Chromatography	Astringin_TMS_77	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2057.78
Gas Chromatography	Astringin_TMS_78	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1907.45
Gas Chromatography	Astringin_TMS_79	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1561.89
Gas Chromatography	Astringin_TMS_80	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1890.69
Gas Chromatography	Astringin_TMS_81	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2137.65
Gas Chromatography	Astringin_TMS_82	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1224.36
Gas Chromatography	Astringin_TMS_83	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=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	1568.04
Gas Chromatography	Astringin_TMS_84	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1	standard non polar	2025-10-24	1993.34
Gas Chromatography	Astringin_TMS_85	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard non polar	2025-10-24	2471.4
Gas Chromatography	Astringin_TMS_86	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1632.03
Gas Chromatography	Astringin_TMS_87	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard non polar	2025-10-24	2045.07
Gas Chromatography	Astringin_TMS_88	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1856.12
Gas Chromatography	Astringin_TMS_89	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	2252.72
Gas Chromatography	Astringin_TMS_90	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)=CC=C1O	standard non polar	2025-10-24	479.025
Gas Chromatography	Astringin_TMS_91	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	1956.87
Gas Chromatography	Astringin_TMS_92	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	1012.93
Gas Chromatography	Astringin_TMS_93	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	1611.16
Gas Chromatography	Astringin_TMS_94	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard non polar	2025-10-24	1900.48
Gas Chromatography	Astringin_TMS_95	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	3676.33
Gas Chromatography	Astringin_TMS_96	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1335.74
Gas Chromatography	Astringin_TMS_97	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)C=C1O	standard non polar	2025-10-24	2867.8
Gas Chromatography	Astringin_TMS_98	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	749.461
Gas Chromatography	Astringin_TMS_99	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(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	2707.36
Gas Chromatography	Astringin_TMS_100	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(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	1690.21
Gas Chromatography	Astringin_TMS_101	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(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	873.009
Gas Chromatography	Astringin_TMS_102	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(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	1959.69
Gas Chromatography	Astringin_TMS_103	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(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	-635.619
Gas Chromatography	Astringin_TMS_104	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(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	1678.94
Gas Chromatography	Astringin_TMS_105	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(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	2323.7
Gas Chromatography	Astringin_TMS_106	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(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	2679.17
Gas Chromatography	Astringin_TMS_107	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(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	774.816
Gas Chromatography	Astringin_TMS_108	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(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	1881.49
Gas Chromatography	Astringin_TMS_109	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	3400.07
Gas Chromatography	Astringin_TMS_110	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2215.13
Gas Chromatography	Astringin_TMS_111	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	311.318
Gas Chromatography	Astringin_TMS_112	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=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	2651.7
Gas Chromatography	Astringin_TMS_113	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=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	1500.63
Gas Chromatography	Astringin_TMS_114	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard non polar	2025-10-24	1656.32
Gas Chromatography	Astringin_TMS_115	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1982.12
Gas Chromatography	Astringin_TMS_116	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1721.78
Gas Chromatography	Astringin_TMS_117	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	2412.86
Gas Chromatography	Astringin_TMS_118	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C	standard non polar	2025-10-24	2420.33
Gas Chromatography	Astringin_TMS_119	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	3301.41
Gas Chromatography	Astringin_TMS_120	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(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	955.651
Gas Chromatography	Astringin_TMS_121	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(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	2250.81
Gas Chromatography	Astringin_TMS_122	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(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	303.02
Gas Chromatography	Astringin_TMS_123	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(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	2613.9
Gas Chromatography	Astringin_TMS_124	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(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	3203.36
Gas Chromatography	Astringin_TMS_125	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=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	1851.54
Gas Chromatography	Astringin_TMS_126	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard non polar	2025-10-24	1395.12
Gas Chromatography	Astringin_TMS_1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2330.71
Gas Chromatography	Astringin_TMS_2	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)=CC=C1O	standard polar	2025-10-24	1496.62
Gas Chromatography	Astringin_TMS_3	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1O	standard polar	2025-10-24	1836.99
Gas Chromatography	Astringin_TMS_4	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1	standard polar	2025-10-24	1889.03
Gas Chromatography	Astringin_TMS_5	C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1835.42
Gas Chromatography	Astringin_TMS_6	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)O[C@H](CO)[C@H]1O	standard polar	2025-10-24	1912.39
Gas Chromatography	Astringin_TMS_7	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O)[C@H]1O	standard polar	2025-10-24	1818.38
Gas Chromatography	Astringin_TMS_8	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2102.33
Gas Chromatography	Astringin_TMS_9	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1233.85
Gas Chromatography	Astringin_TMS_10	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1747.38
Gas Chromatography	Astringin_TMS_11	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2611.4
Gas Chromatography	Astringin_TMS_12	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2513.12
Gas Chromatography	Astringin_TMS_13	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3007.82
Gas Chromatography	Astringin_TMS_14	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1	standard polar	2025-10-24	2720.74
Gas Chromatography	Astringin_TMS_15	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C2)=CC=C1O	standard polar	2025-10-24	2518.49
Gas Chromatography	Astringin_TMS_16	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)=CC=C1O	standard polar	2025-10-24	1409.16
Gas Chromatography	Astringin_TMS_17	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)=CC=C1O	standard polar	2025-10-24	1478.25
Gas Chromatography	Astringin_TMS_18	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1O[Si](C)(C)C	standard polar	2025-10-24	1852.2
Gas Chromatography	Astringin_TMS_19	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1	standard polar	2025-10-24	1705.17
Gas Chromatography	Astringin_TMS_20	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C2)C=C1O	standard polar	2025-10-24	2473.39
Gas Chromatography	Astringin_TMS_21	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)C=C1O	standard polar	2025-10-24	1104.89
Gas Chromatography	Astringin_TMS_22	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)C=C1O	standard polar	2025-10-24	2144.13
Gas Chromatography	Astringin_TMS_23	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1	standard polar	2025-10-24	1888.61
Gas Chromatography	Astringin_TMS_24	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard polar	2025-10-24	2371.83
Gas Chromatography	Astringin_TMS_25	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	2135.82
Gas Chromatography	Astringin_TMS_26	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)O[C@@H]1CO	standard polar	2025-10-24	2549.68
Gas Chromatography	Astringin_TMS_27	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)O[C@H](CO)[C@H]1O	standard polar	2025-10-24	2302.79
Gas Chromatography	Astringin_TMS_28	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1525.66
Gas Chromatography	Astringin_TMS_29	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1413.84
Gas Chromatography	Astringin_TMS_30	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1532.79
Gas Chromatography	Astringin_TMS_31	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1662.23
Gas Chromatography	Astringin_TMS_32	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1612.17
Gas Chromatography	Astringin_TMS_33	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1159.87
Gas Chromatography	Astringin_TMS_34	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2218.01
Gas Chromatography	Astringin_TMS_35	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1628.88
Gas Chromatography	Astringin_TMS_36	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	3100.11
Gas Chromatography	Astringin_TMS_37	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2126.45
Gas Chromatography	Astringin_TMS_38	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2563.03
Gas Chromatography	Astringin_TMS_39	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2057.15
Gas Chromatography	Astringin_TMS_40	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3329.75
Gas Chromatography	Astringin_TMS_41	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2198.77
Gas Chromatography	Astringin_TMS_42	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2430.49
Gas Chromatography	Astringin_TMS_43	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2033.77
Gas Chromatography	Astringin_TMS_44	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1	standard polar	2025-10-24	2234.97
Gas Chromatography	Astringin_TMS_45	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1	standard polar	2025-10-24	1899.47
Gas Chromatography	Astringin_TMS_46	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard polar	2025-10-24	2973.44
Gas Chromatography	Astringin_TMS_47	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	1253.24
Gas Chromatography	Astringin_TMS_48	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)=CC=C1O	standard polar	2025-10-24	2609.83
Gas Chromatography	Astringin_TMS_49	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)=CC=C1O	standard polar	2025-10-24	1046.58
Gas Chromatography	Astringin_TMS_50	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)=C2)C=C1O[Si](C)(C)C	standard polar	2025-10-24	2764.08
Gas Chromatography	Astringin_TMS_51	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)=CC=C1O	standard polar	2025-10-24	2017.23
Gas Chromatography	Astringin_TMS_52	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)C=C1O[Si](C)(C)C	standard polar	2025-10-24	3538.2
Gas Chromatography	Astringin_TMS_53	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C	standard polar	2025-10-24	1724.21
Gas Chromatography	Astringin_TMS_54	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1	standard polar	2025-10-24	1178.95
Gas Chromatography	Astringin_TMS_55	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard polar	2025-10-24	1497.89
Gas Chromatography	Astringin_TMS_56	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	1484.23
Gas Chromatography	Astringin_TMS_57	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)C=C1O	standard polar	2025-10-24	3048.89
Gas Chromatography	Astringin_TMS_58	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)C=C1O	standard polar	2025-10-24	2147.21
Gas Chromatography	Astringin_TMS_59	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)C=C1O	standard polar	2025-10-24	2129.91
Gas Chromatography	Astringin_TMS_60	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard polar	2025-10-24	3063.53
Gas Chromatography	Astringin_TMS_61	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	1939.58
Gas Chromatography	Astringin_TMS_62	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	2431.09
Gas Chromatography	Astringin_TMS_63	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1724.17
Gas Chromatography	Astringin_TMS_64	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1836.0
Gas Chromatography	Astringin_TMS_65	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2391.9
Gas Chromatography	Astringin_TMS_66	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1065.89
Gas Chromatography	Astringin_TMS_67	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1050.94
Gas Chromatography	Astringin_TMS_68	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2192.72
Gas Chromatography	Astringin_TMS_69	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2600.35
Gas Chromatography	Astringin_TMS_70	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2200.68
Gas Chromatography	Astringin_TMS_71	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(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	2562.11
Gas Chromatography	Astringin_TMS_72	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(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	3367.02
Gas Chromatography	Astringin_TMS_73	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(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	1920.48
Gas Chromatography	Astringin_TMS_74	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1391.43
Gas Chromatography	Astringin_TMS_75	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1756.54
Gas Chromatography	Astringin_TMS_76	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	580.385
Gas Chromatography	Astringin_TMS_77	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2133.85
Gas Chromatography	Astringin_TMS_78	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1524.83
Gas Chromatography	Astringin_TMS_79	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1787.51
Gas Chromatography	Astringin_TMS_80	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	865.336
Gas Chromatography	Astringin_TMS_81	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2346.96
Gas Chromatography	Astringin_TMS_82	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	808.087
Gas Chromatography	Astringin_TMS_83	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O)=C3)=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	1486.22
Gas Chromatography	Astringin_TMS_84	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=C1	standard polar	2025-10-24	2033.91
Gas Chromatography	Astringin_TMS_85	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard polar	2025-10-24	2441.38
Gas Chromatography	Astringin_TMS_86	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	2808.5
Gas Chromatography	Astringin_TMS_87	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard polar	2025-10-24	1958.31
Gas Chromatography	Astringin_TMS_88	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	1493.42
Gas Chromatography	Astringin_TMS_89	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	2731.66
Gas Chromatography	Astringin_TMS_90	C[Si](C)(C)OC1=CC(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)=CC=C1O	standard polar	2025-10-24	1770.61
Gas Chromatography	Astringin_TMS_91	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)=C2)C=C1O[Si](C)(C)C	standard polar	2025-10-24	2123.32
Gas Chromatography	Astringin_TMS_92	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C	standard polar	2025-10-24	3330.96
Gas Chromatography	Astringin_TMS_93	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C	standard polar	2025-10-24	2661.48
Gas Chromatography	Astringin_TMS_94	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard polar	2025-10-24	1984.38
Gas Chromatography	Astringin_TMS_95	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	535.503
Gas Chromatography	Astringin_TMS_96	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	1204.42
Gas Chromatography	Astringin_TMS_97	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)C=C1O	standard polar	2025-10-24	666.131
Gas Chromatography	Astringin_TMS_98	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	1712.89
Gas Chromatography	Astringin_TMS_99	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2524.44
Gas Chromatography	Astringin_TMS_100	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2717.12
Gas Chromatography	Astringin_TMS_101	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(O[Si](C)(C)C)=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1486.4
Gas Chromatography	Astringin_TMS_102	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(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	1443.73
Gas Chromatography	Astringin_TMS_103	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(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	2810.59
Gas Chromatography	Astringin_TMS_104	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(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	2182.22
Gas Chromatography	Astringin_TMS_105	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(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	2386.09
Gas Chromatography	Astringin_TMS_106	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(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	870.582
Gas Chromatography	Astringin_TMS_107	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(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	2129.02
Gas Chromatography	Astringin_TMS_108	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O)=C3)=CC(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	2894.04
Gas Chromatography	Astringin_TMS_109	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1614.76
Gas Chromatography	Astringin_TMS_110	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2735.17
Gas Chromatography	Astringin_TMS_111	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1004.73
Gas Chromatography	Astringin_TMS_112	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=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	1436.74
Gas Chromatography	Astringin_TMS_113	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=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	1850.26
Gas Chromatography	Astringin_TMS_114	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=C1	standard polar	2025-10-24	1241.21
Gas Chromatography	Astringin_TMS_115	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	1411.8
Gas Chromatography	Astringin_TMS_116	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	2636.42
Gas Chromatography	Astringin_TMS_117	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	911.12
Gas Chromatography	Astringin_TMS_118	C[Si](C)(C)OC1=CC=C(/C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C	standard polar	2025-10-24	1276.98
Gas Chromatography	Astringin_TMS_119	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	1782.8
Gas Chromatography	Astringin_TMS_120	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(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	914.897
Gas Chromatography	Astringin_TMS_121	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(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	1210.99
Gas Chromatography	Astringin_TMS_122	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=CC(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	3037.3
Gas Chromatography	Astringin_TMS_123	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O)=C3)=CC(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	184.38
Gas Chromatography	Astringin_TMS_124	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(/C=C/C3=CC=C(O)C(O[Si](C)(C)C)=C3)=CC(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	1609.72
Gas Chromatography	Astringin_TMS_125	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=CC(/C=C/C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)=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	1360.68
Gas Chromatography	Astringin_TMS_126	C[Si](C)(C)OC1=CC(/C=C/C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=C1	standard polar	2025-10-24	811.926

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

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

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

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

Microbial Sources

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

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00002870

Chemspider ID

Not Available

KEGG Compound ID

C10245

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Astringin

METLIN ID

Not Available

PubChem Compound

5281712

PDB ID

Not Available

ChEBI ID

2899

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

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

Showing metabocard for Astringin (MMDBc0033596)

MOL for #<Metabolite:0x00007f9aa457c448>

3D MOL for #<Metabolite:0x00007f9aa457c448>

3D SDF for #<Metabolite:0x00007f9aa457c448>

3D-SDF for #<Metabolite:0x00007f9aa457c448>

PDB for #<Metabolite:0x00007f9aa457c448>

3D PDB for #<Metabolite:0x00007f9aa457c448>

SMILES for #<Metabolite:0x00007f9aa457c448>

INCHI for #<Metabolite:0x00007f9aa457c448>

Structure for #<Metabolite:0x00007f9aa457c448>

3D Structure for #<Metabolite:0x00007f9aa457c448>