Molecule ID: 153001

IUPAC Name: 9,12,13-trihydroxyoctadec-10-enoic acid

Description: The molecule is a TriHOME that is octadec-10-enoic acid in which the three hydroxy substituents are located at positions 9, 12 and 13. It has a role as a plant metabolite. It is a TriHOME and a long-chain fatty acid.

SMILES: CCCCCC(O)C(O)C=CC(O)CCCCCCCC(=O)O

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

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

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