Molecule ID: 121232651

IUPAC Name: 2-[(1R,2R)-3-oxo-2-(4-sulfooxypentyl)cyclopentyl]acetic acid

Description: The molecule is a dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methylene hydrogens at position 11 has been replaced by a sulfooxy group.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: CC(CCC[C@H]1C(=O)CC[C@@H]1CC(=O)O)OS(=O)(=O)O

SELFIES: [C][C][Branch2][Ring1][Ring2][C][C][C][C@H1][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][O][O][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C12H20O7S/c1-8(19-20(16,17)18)3-2-4-10-9(7-12(14)15)5-6-11(10)13/h8-10H,2-7H2,1H3,(H,14,15)(H,16,17,18)/t8?,9-,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: 0.3