EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:180534 - 7-Hydroxywarfarin

Default Structure
ChEBI IDCHEBI:180534
ChEBI Name7-Hydroxywarfarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O5
Net Charge0
Average Mass324.332
Monoisotopic Mass324.09977
SMILESCC(=O)CC(c1ccccc1)c1c(O)c2ccc(O)cc2oc1=O
InChIInChI=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
InChIKeySKFYEJMLNMTTJA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
ChEBI Ontology
Outgoing Relation(s)
7-Hydroxywarfarin (CHEBI:180534) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
Manual XrefsDatabases
20129467ChemSpider
HMDB0140988HMDB
Registry NumbersSources
CAS:17834-03-6ChemIDplus