(5Z,9E,14Z)-(8ξ,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate

Chemical Formula:

C₂₀H₃₁O₄

Molecular Weight:

335.462 Daltons

Monoisotopic Mass:

336.2300595156 Daltons

SMILES:

CCCCCC=CC[CH]1(O[CH](C=CC(O)CC=CCCCC(=O)[O-])1)

InChI:

1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/p-1/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1

InChIKey:

SGTUOBURCVMACZ-CIQDQOFUSA-M

Databases

MetaCyc: CPD-2044

RefMet: 11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoi 11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid

PubChem (CID): 21158465

MetaboLights: MTBLC57449

ChEBI: 57449

KEGG: C04849

Seed: cpd02946

MetaNetX: MNXM722776