CHEBI:229853 - catechin 7-sulfate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name catechin 7-sulfate
ChEBI ID CHEBI:229853
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H14O9S
Net Charge 0
Average Mass 370.330
Monoisotopic Mass 370.03585
InChI InChI=1S/C15H14O9S/c16-10-2-1-7(3-12(10)18)15-13(19)6-9-11(17)4-8(5-14(9)23-15)24-25(20,21)22/h1-5,13,15-19H,6H2,(H,20,21,22)/t13-,15+/m0/s1
InChIKey RTMISWLJQDWIPT-DZGCQCFKSA-N
SMILES S(OC=1C=C2O[C@@H]([C@@H](O)CC2=C(O)C1)C3=CC(O)=C(O)C=C3)(O)(=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing catechin 7-sulfate (CHEBI:229853) is a catechin (CHEBI:23053)
IUPAC Name
[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] hydrogen sulate
Manual Xrefs Databases
128424186 ChemSpider
HMDB0240436 HMDB
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