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CHEBI:193303 - [3-(3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid

ChEBI IDCHEBI:193303
ChEBI Name[3-(3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O7S
Net Charge0
Average Mass338.337
Monoisotopic Mass338.04602
SMILESO=S(=O)(O)Oc1cccc(C2Oc3cc(O)ccc3CC2O)c1
InChIInChI=1S/C15H14O7S/c16-11-5-4-9-7-13(17)15(21-14(9)8-11)10-2-1-3-12(6-10)22-23(18,19)20/h1-6,8,13,15-17H,7H2,(H,18,19,20)
InChIKeyKNALNINWNFZIRA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
[3-(3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid (CHEBI:193303) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
[3-(3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
74853744ChemSpider