Molecule ID: 145864729

IUPAC Name: 9-(4,6-dihydroxy-2-methyl-5-oxido-8-oxobenzo[g]chromen-9-yl)-4,6-dihydroxy-2-methyl-8-oxobenzo[g]chromen-5-olate

Description: The molecule is a phenolate anion that is the conjugate base of ustilaginoidin A, obtained by deprotonation of the two hydroxy groups at positions 5 and 5'. It is the major microspecies at pH 7.3. It is a conjugate base of an ustilaginoidin A.

SMILES: Cc1cc([O-])c2c(O)c3c(O)cc(=O)c(-c4c(=O)cc(O)c5c(O)c6c([O-])cc(C)oc6cc45)c3cc2o1

SELFIES: [C][C][=C][C][Branch1][C][O-1][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Branch1][C][O-1][C][=C][Branch1][C][C][O][C][Ring1][Branch2][=C][C][=Ring2][Ring1][Ring1][Ring1][=N][=C][Ring2][Ring1][O][C][=C][Ring2][Ring1][S][O][Ring2][Ring2][Branch1]

InChI: InChI=1S/C28H18O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h3-8,29-30,33-36H,1-2H3/p-2

Molecular Properties:
- Polar Surface Area: 180.0 Ų
- LogP: 1.8