CHEBI:229845 - 2,6-dihydroxy-4-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2h-chromen-2-yl)phenyl hydrogen sulfate

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ChEBI Name 2,6-dihydroxy-4-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2h-chromen-2-yl)phenyl hydrogen sulfate
ChEBI ID CHEBI:229845
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H12O11S
Net Charge 0
Average Mass 400.310
Monoisotopic Mass 400.01003
InChI InChI=1S/C15H12O11S/c16-6-3-7(17)11-10(4-6)25-14(13(21)12(11)20)5-1-8(18)15(9(19)2-5)26-27(22,23)24/h1-4,13-14,16-19,21H,(H,22,23,24)
InChIKey NUDBNPBXXDYEIN-UHFFFAOYSA-N
SMILES S(OC=1C(O)=CC(C2OC=3C(C(=O)C2O)=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-4-oxo-3,4-dihydro-2h-chromen-2-yl)phenyl hydrogen sulfate (CHEBI:229845) is a catechin (CHEBI:23053)
IUPAC Name
[2,6-dihydroxy-4-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] hydrogen sulate
Manual Xref Database
74851677 ChemSpider
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