bergapten

Chemical Formula:

C₁₂H₈O₄

Molecular Weight:

216.193 Daltons

Monoisotopic Mass:

216.0422587452 Daltons

SMILES:

COC2(C1(=C(OC=C1)C=C3(OC(=O)C=CC=23)))

InChI:

1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3

InChIKey:

BGEBZHIAGXMEMV-UHFFFAOYSA-N

Synonyms

Databases

MetaCyc: 5-METHOXYFURANOCOUMARIN

RefMet: Bergapten

ChEBI: 18293

MetaboLights: MTBLC18293

HMDB: HMDB30637

ChemSpider: 2265

PubChem (CID): 2355

KEGG: C01557

NCI: 95437

CAS: 484-20-8

Seed: cpd01097

MetaNetX: MNXM4481