Molecule ID: 101524168

IUPAC Name: 2-hydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxybenzoic acid

Description: The molecule is a monohydroxybenzoic acid that is 2-hydroxybenzoic acid in which the hydrogen at position 3 is replaced by a beta-D-xylosyloxy group. It has a role as a plant metabolite. It is a beta-D-xyloside and a monohydroxybenzoic acid. It derives from a 2,3-dihydroxybenzoic acid.

SMILES: O=C(O)c1cccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1O

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

InChI: InChI=1S/C12H14O8/c13-6-4-19-12(10(16)9(6)15)20-7-3-1-2-5(8(7)14)11(17)18/h1-3,6,9-10,12-16H,4H2,(H,17,18)/t6-,9+,10-,12+/m1/s1

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: -0.4