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:

DOBMPNYZJYQDGZ-UHFFFAOYSA-N

Synonyms

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