Molecule ID: 136630906

IUPAC Name: 3-[5-carboxy-4-(2-hydroxy-1H-indol-3-yl)-1H-pyrrol-2-yl]-1H-indol-5-olate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of violaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a violaceinic acid.

SMILES: O=C(O)c1[nH]c(-c2c[nH]c3ccc([O-])cc23)cc1-c1c(O)[nH]c2ccccc12

SELFIES: [O][=C][Branch1][C][O][C][NH1][C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][#Branch2][Ring1][#Branch1][=C][C][=Ring1][#C][C][=C][Branch1][C][O][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]

InChI: InChI=1S/C21H15N3O4/c25-10-5-6-15-12(7-10)14(9-22-15)17-8-13(19(23-17)21(27)28)18-11-3-1-2-4-16(11)24-20(18)26/h1-9,22-26H,(H,27,28)/p-1

Molecular Properties:
- Polar Surface Area: 128.0 Ų
- LogP: 4.4