9-cis,11-trans-octadecadienoate

Chemical Formula:

C₁₈H₃₁O₂

Molecular Weight:

279.442 Daltons

Monoisotopic Mass:

280.2402302714 Daltons

SMILES:

CCCCCCC=CC=CCCCCCCCC([O-])=O

InChI:

1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/p-1/b8-7+,10-9-

InChIKey:

JBYXPOFIGCOSSB-GOJKSUSPSA-M

Synonyms

Databases

MetaCyc: 9-CIS11-TRANS-OCTADECADIENOATE

RefMet: Rumenic acid

HMDB: HMDB03797

ChemSpider: 4573777

PubChem (CID): 5460120 5280644

ChEBI: 17539

KEGG: C04056

CAS: 872-23-1

Seed: cpd02510

MetaNetX: MNXM3889