Molecule ID: 53468692

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

Description: The molecule is a sesquiterpenoid that is the 7-O-methyl derivative of (+)-(7S)-sydonic acid. An Aspergillus metabolite isolated from the sea fan derived fungus Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a monohydroxybenzoic acid, a sesquiterpenoid and an ether. It derives from a (+)-(7S)-sydonic acid.

SMILES: CO[C@@](C)(CCCC(C)C)c1ccc(C(=O)O)cc1O

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

InChI: InChI=1S/C16H24O4/c1-11(2)6-5-9-16(3,20-4)13-8-7-12(15(18)19)10-14(13)17/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,18,19)/t16-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 3.6