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CHEBI:175129 - S-4'-Hydroxywarfarin

ChEBI IDCHEBI:175129
ChEBI NameS-4'-Hydroxywarfarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O5
Net Charge0
Average Mass324.332
Monoisotopic Mass324.09977
SMILESCC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21-22H,10H2,1H3/t15-/m0/s1
InChIKeyRRZWAMPDGRWRPF-HNNXBMFYSA-N
ChEBI Ontology
Outgoing Relation(s)
S-4'-Hydroxywarfarin (CHEBI:175129) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
4-hydroxy-3-[(1S)-1-(4-hydroxyphenyl)-3-oxobutyl]chromen-2-one
Manual XrefsDatabases
48060784ChemSpider
Registry NumbersSources
CAS:68407-05-6ChemIDplus