colnelenate

Chemical Formula:

C₁₈H₂₇O₃

Molecular Weight:

291.409 Daltons

Monoisotopic Mass:

292.20384476510003 Daltons

SMILES:

CCC=CCC=CC=COC=CCCCCCCC([O-])=O

InChI:

1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/p-1/b4-3-,10-7-,16-13+,17-14+

InChIKey:

OYKAXBUWOIRLGF-VMBRNALUSA-M

Synonyms

colnelenic acid

Databases

MetaCyc: CPD-8680

RefMet: Colnelenic acid

HMDB: HMDB30996

ChEBI: 60960

PubChem (CID): 25245649 6441679

KEGG: C16320

Seed: cpd15036

MetaNetX: MNXM5101