Molecule ID: 25201457

IUPAC Name: 4-(3,5-dihydroxy-7-oxochromen-2-yl)-2-methoxyphenolate

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

SMILES: COc1cc(-c2oc3cc(=O)cc(O)c-3cc2O)ccc1[O-]

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

InChI: InChI=1S/C16H12O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-7,18-20H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 99.0 Ų
- LogP: 1.6