Molecule ID: 46906036

IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-olate

Description: The molecule is conjugate base of quercetin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is a conjugate base of a quercetin.

SMILES: O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc(O)c12

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

InChI: InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H/p-1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: 2.2