(Q104917149)

English

4-benzylsulfanyl-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

group of stereoisomers with the chemical formula C₃₇H₃₂O₁₃S

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Statements

instance of

group of stereoisomers

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subclass of

(4->8)-proanthocyanidin

1 reference

inferred from

(4->8)-proanthocyanidin

4C-substituted flavan

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inferred from

4C-substituted flavan

mass

716.156362084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₃₂O₁₃S

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canonical SMILES

OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(O)C2C=4C(O)=CC(O)=C5C4OC(C6=CC(O)=C(O)C(O)=C6)C(O)C5SCC=7C=CC=CC7)C1

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found in taxon

Lotus rectus

1 reference

stated in

Characterization of condensed tannins from Lotus species by thiolytic degradation and electrospray mass spectrometry

Dorycnium rectum

1 reference

stated in

Characterization of condensed tannins from Lotus species by thiolytic degradation and electrospray mass spectrometry

Lotus krylovii

1 reference

stated in

Characterization of condensed tannins from Lotus species by thiolytic degradation and electrospray mass spectrometry

Lotus tenuis

1 reference

stated in

Characterization of condensed tannins from Lotus species by thiolytic degradation and electrospray mass spectrometry

Identifiers

InChI

InChI=1S/C37H32O13S/c38-18-11-21(41)27-26(12-18)49-34(16-6-7-19(39)20(40)8-16)32(47)30(27)28-22(42)13-23(43)29-36(28)50-35(17-9-24(44)31(46)25(45)10-17)33(48)37(29)51-14-15-4-2-1-3-5-15/h1-13,30,32-35,37-48H,14H2

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InChIKey

AQXNVPPNTXVRDA-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AQXNVPPNTXVRDA-UHFFFAOYSA-N

(Q104917149)

4-benzylsulfanyl-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

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Identifiers

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