monacolin J acid

Chemical Formula:

C₁₉H₂₉O₅

Molecular Weight:

337.435 Daltons

Monoisotopic Mass:

338.2093240735 Daltons

SMILES:

CC2(C=C1(C=CC(C)C(CCC(O)CC(O)CC([O-])=O)[CH]1C(O)C2))

InChI:

1S/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/p-1/t11-,12-,14+,15+,16-,17-,19-/m0/s1

InChIKey:

FJQFRDAWQRBFCG-IRUSZSJRSA-M

Databases

MetaCyc: CPD-16908

PubChem (CID): 29918871

ChEBI: 79035

MetaNetX: MNXM145769

KEGG: C20854