xanthotoxin

Chemical Formula:

C₁₂H₈O₄

Molecular Weight:

216.193 Daltons

Monoisotopic Mass:

216.0422587452 Daltons

SMILES:

COC3(=C1(C(C=CO1)=CC2(C=CC(=O)OC=23)))

InChI:

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

InChIKey:

QXKHYNVANLEOEG-UHFFFAOYSA-N

Synonyms

Databases

MetaCyc: CPD-13042

HMDB: HMDB14693

DRUGBANK: DB00553

ChemSpider: 3971

KEGG: C01864

PubChem (CID): 4114

ChEBI: 18358

Seed: cpd01283

MetaNetX: MNXM4666