Molecule ID: 25775004

IUPAC Name: 3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]benzoic acid

Description: The molecule is a sesquiterpenoid that is benzoic acid substituted by a hydroxy group at position 3 and a (2S)-2-hydroxy-6-methylheptan-2-yl group at position 4. It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a sesquiterpenoid, a monohydroxybenzoic acid and an aromatic alcohol.

SMILES: CC(C)CCC[C@](C)(O)c1ccc(C(=O)O)cc1O

SELFIES: [C][C][Branch1][C][C][C][C][C][C@][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][O]

InChI: InChI=1S/C15H22O4/c1-10(2)5-4-8-15(3,19)12-7-6-11(14(17)18)9-13(12)16/h6-7,9-10,16,19H,4-5,8H2,1-3H3,(H,17,18)/t15-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 3.6