Molecule ID: 90657848

IUPAC Name: 3-hydroxy-2-(4-hydroxyphenyl)-7-oxochromen-5-olate

Description: The molecule is an organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of pelargonidin; major species at pH 7.3. It is a conjugate base of a pelargonidin.

SMILES: O=c1cc2oc(-c3ccc([O-])cc3)c(O)cc-2c(O)c1

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

InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7,16,18-19H/p-1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 1.6