Molecule ID: 90658177

IUPAC Name: 4-(3,5-dihydroxy-7-oxochromen-2-yl)-2,6-dimethoxyphenolate

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

SMILES: COc1cc(-c2oc3cc(=O)cc([O-])c-3cc2O)cc(OC)c1O

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

InChI: InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7,19-21H,1-2H3/p-1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: 1.6