Molecule ID: 86583349

IUPAC Name: [3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenyl] hydrogen sulfate

Description: The molecule is an organic sulfate that consists of dihydroresveratrol substituted by a sulfate group at position 3. It is a metabolite of dihydroresveratrol.

SMILES: O=S(=O)(O)Oc1cc(O)cc(CCc2ccc(O)cc2)c1

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

InChI: InChI=1S/C14H14O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h3-9,15-16H,1-2H2,(H,17,18,19)

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 2.5