trans-Resveratrol 3,4'-disulfate (CHEBI:172622)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	trans-Resveratrol 3,4'-disulfate

ChEBI ID	CHEBI:172622

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H12O9S2

Net Charge

Average Mass

388.360

Monoisotopic Mass

387.99227

InChI

InChI=1S/C14H12O9S2/c15-12-7-11(8-14(9-12)23-25(19,20)21)2-1-10-3-5-13(6-4-10)22-24(16,17)18/h1-9,15H,(H,16,17,18)(H,19,20,21)/b2-1+

InChIKey

DHYDAGFKCXRMSL-OWOJBTEDSA-N

SMILES

S(OC1=CC(/C=C/C2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1)(O)(=O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	trans-Resveratrol 3,4'-disulfate (CHEBI:172622) is a stilbenoid (CHEBI:26776)

IUPAC Name

[3-hydroxy-5-[(E)-2-(4-sulooxyphenyl)ethenyl]phenyl] hydrogen sulate