β-cyclopiazonate

Chemical Formula:

C₂₀H₂₁N₂O₃

Molecular Weight:

337.397 Daltons

Monoisotopic Mass:

338.1630425829 Daltons

SMILES:

CC(=CCC3(C2(=C(NC=C(CC1(NC(C(C1=O)=C(C)[O-])=O))2)C=CC=3)))C

InChI:

1S/C20H22N2O3/c1-11(2)7-8-13-5-4-6-15-18(13)14(10-21-15)9-16-19(24)17(12(3)23)20(25)22-16/h4-7,10,16,21,23H,8-9H2,1-3H3,(H,22,25)/p-1/b17-12-/t16-/m0/s1

InChIKey:

HLDTVPRYVAHRIQ-BQGMYUGNSA-M

Synonyms

β-cyclopiazonic acid

Databases

MetaCyc: BETA-CYCLOPIAZONATE

ChEBI: 58067

KEGG: C02899

PubChem (CID): 25244243

Seed: cpd01856

MetaNetX: MNXM4920