Molecule ID: 23872092

IUPAC Name: methyl 8-hydroxy-6-(hydroxymethyl)-9-oxoxanthene-1-carboxylate

Description: The molecule is a member of the class of xanthones that is methyl 9-oxo-9H-xanthene-1-carboxylate substituted by a hydroxy group at position 8 and a hydroxymethyl group at position 6. It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a member of xanthones, an aromatic ester and a member of phenols.

SMILES: COC(=O)c1cccc2oc3cc(CO)cc(O)c3c(=O)c12

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

InChI: InChI=1S/C16H12O6/c1-21-16(20)9-3-2-4-11-13(9)15(19)14-10(18)5-8(7-17)6-12(14)22-11/h2-6,17-18H,7H2,1H3

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: 2.1