Molecule ID: 49852315

IUPAC Name: 4-[(Z)-(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2-hydroxyphenolate

Description: The molecule is an organic anion that is the conjugate base of aureusidin, arising from selective deprotonation of the hydroxy group at position 6 of the benzofuran moiety; major species at pH 7.3. It is a conjugate base of an aureusidin.

SMILES: O=C1/C(=C/c2ccc(O)c(O)c2)Oc2cc([O-])cc(O)c21

SELFIES: [O][=C][/C][=Branch1][S][=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][Ring1][Branch2][Ring2][Ring1][Ring2]

InChI: InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/p-1/b13-4-

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 3.4