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CHEBI:193331 - [2,6-dihydroxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid

ChEBI IDCHEBI:193331
ChEBI Name[2,6-dihydroxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O10S
Net Charge0
Average Mass386.334
Monoisotopic Mass386.03077
SMILESO=S(=O)(O)Oc1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)cc1O
InChIInChI=1S/C15H14O10S/c16-7-3-9(17)8-5-12(20)14(24-13(8)4-7)6-1-10(18)15(11(19)2-6)25-26(21,22)23/h1-4,12,14,16-20H,5H2,(H,21,22,23)
InChIKeyVQYZFEYHEYZPIV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
[2,6-dihydroxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid (CHEBI:193331) is a catechin (CHEBI:23053)
IUPAC Name 
[2,6-dihydroxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
74854188ChemSpider