CHEBI:175127 - S-6-Hydroxywarfarin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 S-6-Hydroxywarfarin
ChEBI ID CHEBI:175127
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)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21-22H,9H2,1H3/t14-/m0/s1
InChIKey IQWPEJBUOJQPDE-AWEZNQCLSA-N
SMILES O1C(=O)C([C@@H](CC(=O)C)C2=CC=CC=C2)=C(O)C3=C1C=CC(O)=C3
ChEBI Ontology
Outgoing S-6-Hydroxywarfarin (CHEBI:175127) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name
4,6-dihydroxy-3-[(1S)-3-oxo-1-phenylbutyl]chromen-2-one
Manual Xref Database
48059821 ChemSpider
View more database links
Registry Number Type Source
63740-80-7 CAS Registry Number ChemIDplus