Molecule ID: 52921581

IUPAC Name: (2Z,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of phaseic acid; major species at pH 7.3. It is a conjugate base of a phaseic acid.

SMILES: CC(=C/C(=O)[O-])/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2

SELFIES: [C][C][=Branch1][#Branch1][=C][/C][=Branch1][C][=O][O-1][/C][=C][/C@][Branch1][C][O][C@@][Branch1][C][C][C][O][C@][Ring1][#Branch1][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch2]

InChI: InChI=1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/p-1/b5-4+,10-6-/t13-,14-,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 1.1