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CHEBI:84038 - dihydroresveratrol-3-O-sulfate

ChEBI IDCHEBI:84038
ChEBI Namedihydroresveratrol-3-O-sulfate
Stars
ASCII Namedihydroresveratrol-3-O-sulfate
DefinitionAn organic sulfate that consists of dihydroresveratrol substituted by a sulfate group at position 3. It is a metabolite of dihydroresveratrol.
Last Modified9 December 2014
Submitternamrata
DownloadsMolfile
FormulaC14H14O6S
Net Charge0
Average Mass310.327
Monoisotopic Mass310.05111
SMILESO=S(=O)(O)Oc1cc(O)cc(CCc2ccc(O)cc2)c1
InChIInChI=1S/C14H14O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h3-9,15-16H,1-2H2,(H,17,18,19)
InChIKeyKAVKAZLSONPCRU-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
dihydroresveratrol-3-O-sulfate (CHEBI:84038) is a dihydroresveratrol sulfate (CHEBI:84045)
IUPAC Name 
3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenyl hydrogen sulfate
Citations