EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84040 - resveratrol-3-O-sulfate

Default Structure
ChEBI IDCHEBI:84040
ChEBI Nameresveratrol-3-O-sulfate
Stars
ASCII Nameresveratrol-3-O-sulfate
DefinitionAn organic sulfate that is the 3-O-sulfate derivative of trans-resveratrol.
Last Modified9 December 2014
Submitternamrata
DownloadsMolfile
FormulaC14H12O6S
Net Charge0
Average Mass308.311
Monoisotopic Mass308.03546
SMILESO=S(=O)(O)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1
InChIInChI=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+
InChIKeyDULQFFCIVGYOFH-OWOJBTEDSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
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