Molecule ID: 129851010

IUPAC Name: 2,4-dihydroxy-3-methyl-6-(2-oxoundecyl)benzaldehyde

Description: The molecule is a dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3 and 6 have been replaced by a methyl and 2-oxoundecyl groups, respectively. It has a role as an Aspergillus metabolite. It is a dihydroxybenzaldehyde and a ketone.

SMILES: CCCCCCCCCC(=O)Cc1cc(O)c(C)c(O)c1C=O

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

InChI: InChI=1S/C19H28O4/c1-3-4-5-6-7-8-9-10-16(21)11-15-12-18(22)14(2)19(23)17(15)13-20/h12-13,22-23H,3-11H2,1-2H3

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 5.3