CHEBI:180534 - 7-Hydroxywarfarin

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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 7-Hydroxywarfarin
ChEBI ID CHEBI:180534
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H16O5
Net Charge 0
Average Mass 324.332
Monoisotopic Mass 324.09977
InChI InChI=1S/C19H16O5/c1-11(20)9-15(12-5-3-2-4-6-12)17-18(22)14-8-7-13(21)10-16(14)24-19(17)23/h2-8,10,15,21-22H,9H2,1H3
InChIKey SKFYEJMLNMTTJA-UHFFFAOYSA-N
SMILES O1C(=O)C(C(CC(=O)C)C2=CC=CC=C2)=C(O)C3=C1C=C(O)C=C3
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 7-Hydroxywarfarin (CHEBI:180534) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name
4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
Manual Xrefs Databases
20129467 ChemSpider
HMDB0140988 HMDB
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Registry Number Type Source
17834-03-6 CAS Registry Number ChemIDplus