Molecule ID: 44559173

IUPAC Name: (10E,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid

Description: The molecule is a octadecanoid that is (10E,15Z)-octadecadienoic acid carrying three hydroxy substituents at positions 9, 12 and 13. It has a role as a plant metabolite, an antioxidant and an antifungal agent. It is a long-chain fatty acid, an octadecanoid, an oxylipin and a hydroxy polyunsaturated fatty acid.

SMILES: CC/C=C\CC(O)C(O)/C=C/C(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/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 2.6