(5S,8R,9Z,12Z)-5,8-dihydroxy-9,12-octadecadienoate

Chemical Formula:

C₁₈H₃₁O₄

Molecular Weight:

311.44 Daltons

Monoisotopic Mass:

312.2300595156 Daltons

SMILES:

CCCCCC=CCC=CC(O)CCC(O)CCCC([O-])=O

InChI:

1S/C18H32O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h6-7,9,11,16-17,19-20H,2-5,8,10,12-15H2,1H3,(H,21,22)/p-1/b7-6-,11-9-/t16-,17-/m0/s1

InChIKey:

CVXOCQUHJDKXHR-JFKQHRMJSA-M

Databases

MetaCyc: CPD-13765

RefMet: 5S,8R-DiHODE

PubChem (CID): 25755601

ChEBI: 63217

Seed: cpd21419

MetaNetX: MNXM5375

KEGG: C20186