Molecule ID: 25201643

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

Description: The molecule is a flavonol oxoanion that is the conjugate base of myricetin, arising from selective deprotonation of the 3-hydroxy group; major species at pH 7.3. It is a conjugate base of a myricetin.

SMILES: O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc([O-])cc(O)c12

SELFIES: [O][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][O][=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/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H/p-1

Molecular Properties:
- Polar Surface Area: 151.0 Ų
- LogP: 1.8