Molecule ID: 70698327

IUPAC Name: 3,6,8-trihydroxy-2-(1-hydroxy-5-oxohexan-2-yl)-9,10-dioxoanthracen-1-olate

Description: The molecule is an organic anion that is the conjugate base of versicolorone, obtained by selective deprotonation of the 2-hydroxy group. It is a conjugate base of a versicolorone tricyclic form.

SMILES: CC(=O)CCC(CO)c1c(O)cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O

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

InChI: InChI=1S/C20H18O8/c1-8(22)2-3-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/p-1

Molecular Properties:
- Polar Surface Area: 155.0 Ų
- LogP: 2.0