dicoumarol
Chemical Formula:
C19H12O6
Molecular Weight:
336.3 Daltons
Monoisotopic Mass:
336.0633881178 Daltons
SMILES:
C1(=CC2(=C(C=C1)OC(C(=C(O)2)CC3(C(OC4(C(C=3O)=CC=CC=4))=O))=O))
InChI:
1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
InChIKey:
Synonyms
- dicoumarin
- melitoxin
- bis-hydroxycoumarin
- dicumarol
Databases
MetaCyc:
DICOUMAROL
PubChem (CID):
54676038
MetaboLights:
MTBLC4513
HMDB:
HMDB14411
DRUGBANK:
DB00266
ChEBI:
4513
KEGG:
C00796
CAS:
66-76-2
RefMet:
Dicumarol
Seed:
cpd00590
MetaNetX:
MNXM50554