columbamine

Chemical Formula:

C₂₀H₂₀NO₄

Molecular Weight:

338.382 Daltons

Monoisotopic Mass:

338.13923313559997 Daltons

SMILES:

COC1(C=CC3(=C(C(OC)=1)C=[N+]4(CCC2(=CC(OC)=C(O)C=C2C(=C3)4))))

InChI:

1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1

InChIKey:

YYFOFDHQVIODOQ-UHFFFAOYSA-O

Databases

MetaCyc: COLUMBAMINE

MetaboLights: MTBLC15920

ChemSpider: 65261

PubChem (CID): 72310

KEGG: C01795

ChEBI: 15920

CAS: 3621-36-1

Seed: cpd01238

MetaNetX: MNXM1818