CHEBI:175130 - R-4'-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 R-4'-Hydroxywarfarin
ChEBI ID CHEBI:175130
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)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-/m1/s1
InChIKey RRZWAMPDGRWRPF-OAHLLOKOSA-N
SMILES O1C(=O)C([C@H](CC(=O)C)C2=CC=C(O)C=C2)=C(O)C=3C1=CC=CC3
ChEBI Ontology
Outgoing R-4'-Hydroxywarfarin (CHEBI:175130) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name
4-hydroxy-3-[(1R)-1-(4-hydroxyphenyl)-3-oxobutyl]chromen-2-one
Manual Xref Database
48060783 ChemSpider
View more database links
Registry Number Type Source
63740-78-3 CAS Registry Number ChemIDplus