Molecule ID: 121232650

IUPAC Name: 2-[(1R,2R)-3-oxo-2-(5-sulfooxypentyl)cyclopentyl]acetic acid

Description: The molecule is a dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methyl hydrogens at position 12 has been replaced by a sulfooxy group. It has a role as a plant metabolite. It is a dihydrojasmonic acid and an alkyl sulfate.

SMILES: O=C(O)C[C@H]1CCC(=O)[C@@H]1CCCCCOS(=O)(=O)O

SELFIES: [O][=C][Branch1][C][O][C][C@H1][C][C][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][C][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C12H20O7S/c13-11-6-5-9(8-12(14)15)10(11)4-2-1-3-7-19-20(16,17)18/h9-10H,1-8H2,(H,14,15)(H,16,17,18)/t9-,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: 0.4