Molecule ID: 131801248

IUPAC Name: (4S)-3,4,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-5-olate

Description: The molecule is an organic anion that is the conjugate base of (4S)-2,3-dehydroleucopelargonidin, obtained by deprotonation of the 3-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a (4S)-2,3-dehydroleucopelargonidin.

SMILES: [O-]c1ccc(C2=C(O)[C@@H](O)c3c(O)cc(O)cc3O2)cc1

SELFIES: [O-1][C][=C][C][=C][Branch2][Ring1][O][C][=C][Branch1][C][O][C@@H1][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13,16-20H/p-1/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 1.8