Molecule ID: 22600106

IUPAC Name: 3-hydroxy-2-(3-hydroxyphenyl)propanoic acid

Description: The molecule is a hydroxy monocarboxylic acid that is propionic acid substituted by a hydroxy group at position 3 and a 3-hydroxyphenyl group at position 2. It is a metabolite of flavonoids and has been identified as one of the major phenolic acids in human urine. It has a role as a human xenobiotic metabolite. It is a hydroxy monocarboxylic acid and a member of phenols. It derives from a propionic acid.

SMILES: O=C(O)C(CO)c1cccc(O)c1

SELFIES: [O][=C][Branch1][C][O][C][Branch1][Ring1][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]

InChI: InChI=1S/C9H10O4/c10-5-8(9(12)13)6-2-1-3-7(11)4-6/h1-4,8,10-11H,5H2,(H,12,13)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 0.4