Molecule ID: 25113755

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

Description: The molecule is an organic sulfate that is the 3-O-sulfate derivative of trans-resveratrol. It has a role as a xenobiotic metabolite. It is a stilbenol and an organic sulfate. It derives from a trans-resveratrol.

SMILES: O=S(=O)(O)Oc1cc(O)cc(/C=C/c2ccc(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/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+

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