Molecule ID: 441697

IUPAC Name: 2-(3,4-dihydroxyphenyl)chromenylium-3,5,6,7-tetrol

Description: The molecule is an anthocyanidin cation that is cyanidin substituted by a hydroxy group at position 6. It derives from a cyanidin cation.

SMILES: Oc1ccc(-c2[o+]c3cc(O)c(O)c(O)c3cc2O)cc1O

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

InChI: InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)15-11(19)4-7-12(22-15)5-10(18)14(21)13(7)20/h1-5H,(H5-,16,17,18,19,20,21)/p+1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: nan