Molecule ID: 25203006

IUPAC Name: 2-hydroxy-6-methoxy-4-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenolate

Description: The molecule is the conjugate base of laricitrin arising from deprotonation of the 3-OH group; major species at pH 7.3. It is a conjugate base of a laricitrin.

SMILES: COc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)cc(O)c1O

SELFIES: [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][O][C][=C][C][Branch1][C][O-1][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=Ring1][=N][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][Branch1][O]

InChI: InChI=1S/C16H12O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,17-20,22H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: 2.2