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CHEBI:193475 - [4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid

ChEBI IDCHEBI:193475
ChEBI Name[4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O8S
Net Charge0
Average Mass354.336
Monoisotopic Mass354.04094
SMILESO=S(=O)(O)Oc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1
InChIInChI=1S/C15H14O8S/c16-9-5-12(17)11-7-13(18)15(22-14(11)6-9)8-1-3-10(4-2-8)23-24(19,20)21/h1-6,13,15-18H,7H2,(H,19,20,21)
InChIKeyGMDFXMLCKGSSSL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
[4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid (CHEBI:193475) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
[4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
74852962ChemSpider