CHEBI:84040 - resveratrol-3-O-sulfate

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ChEBI Name resveratrol-3-O-sulfate ChEBI ID CHEBI:84040 ChEBI ASCII Name resveratrol-3-O-sulfate Definition An organic sulfate that is the 3-O-sulfate derivative of trans-resveratrol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H12O6S Net Charge 0 Average Mass 308.30600 Monoisotopic Mass 308.03546 InChI InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+ InChIKey DULQFFCIVGYOFH-OWOJBTEDSA-N SMILES Oc1ccc(\C=C\c2cc(O)cc(OS(O)(=O)=O)c2)cc1 Roles Classification Biological Role(s): xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. View more via ChEBI Ontology ChEBI Ontology Outgoing resveratrol-3-O-sulfate (CHEBI:84040) has functional parent trans-resveratrol (CHEBI:45713) resveratrol-3-O-sulfate (CHEBI:84040) has role xenobiotic metabolite (CHEBI:76206) resveratrol-3-O-sulfate (CHEBI:84040) is a organic sulfate (CHEBI:25704) resveratrol-3-O-sulfate (CHEBI:84040) is a stilbenol (CHEBI:36027) IUPAC Name 3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl hydrogen sulfate Citations Types Sources 19747768 PubMed citation Europe PMC 24089405 PubMed citation Europe PMC 24996158 PubMed citation Europe PMC Last Modified 09 December 2014