Molecule ID: 5321949

IUPAC Name: (E)-8,11,12-trihydroxyoctadec-9-enoic acid

Description: The molecule is an olefinic fatty acid that is (9E)-octadec-9-enoic acid substituted by hydroxy groups at positions 8, 11 and 12. It has been isolated from Allium fistulosum and Ophiopogon japonicus. It has a role as a plant metabolite and an antifungal agent. It is an olefinic fatty acid and a hydroxy monounsaturated fatty acid.

SMILES: CCCCCCC(O)C(O)/C=C/C(O)CCCCCCC(=O)O

SELFIES: [C][C][C][C][C][C][C][Branch1][C][O][C][Branch1][C][O][/C][=C][/C][Branch1][C][O][C][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H34O5/c1-2-3-4-8-11-16(20)17(21)14-13-15(19)10-7-5-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 3.1