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

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ChEBI Name [2,6-dihydroxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
ChEBI ID CHEBI:193331
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H14O10S
Net Charge 0
Average Mass 386.330
Monoisotopic Mass 386.03077
InChI InChI=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)
InChIKey VQYZFEYHEYZPIV-UHFFFAOYSA-N
SMILES S(OC=1C(O)=CC(C2OC=3C(CC2O)=C(O)C=C(O)C3)=CC1O)(O)(=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing [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 Xref Database
74854188 ChemSpider
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