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CHEBI:179596 - 3'-O-Methyl-(-)-epicatechin-7-O-sulphate

ChEBI IDCHEBI:179596
ChEBI Name3'-O-Methyl-(-)-epicatechin-7-O-sulphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O8S
Net Charge0
Average Mass368.363
Monoisotopic Mass368.05659
SMILESCOc1cc(C2Oc3cc(OS(=O)O)cc(O)c3CC2O)ccc1O
InChIInChI=1S/C16H16O8S/c1-22-15-4-8(2-3-11(15)17)16-13(19)7-10-12(18)5-9(24-25(20)21)6-14(10)23-16/h2-6,13,16-19H,7H2,1H3,(H,20,21)
InChIKeyHWSSTYCNIRKMBH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3'-O-Methyl-(-)-epicatechin-7-O-sulphate (CHEBI:179596) is a catechin (CHEBI:23053)
IUPAC Name 
[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl] hydrogen sulite
Manual XrefsDatabases
74849512ChemSpider
HMDB0029177HMDB