Molecule ID: 44583956

IUPAC Name: [(3S,4S)-3,4-dihydroxy-2-oxopentyl] 2,4-dihydroxy-6-methylbenzoate

Description: The molecule is a benzoate ester obtained by the formal condensation of o-orsellinic acid with (3S,4S)-1,3,4-trihydroxypentan-2-one. It has been isolated from Chaetomium globosum. It has a role as a Chaetomium metabolite. It is a benzoate ester, a member of resorcinols and a secondary alpha-hydroxy ketone.

SMILES: Cc1cc(O)cc(O)c1C(=O)OCC(=O)[C@@H](O)[C@H](C)O

SELFIES: [C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O]

InChI: InChI=1S/C13H16O7/c1-6-3-8(15)4-9(16)11(6)13(19)20-5-10(17)12(18)7(2)14/h3-4,7,12,14-16,18H,5H2,1-2H3/t7-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: 0.9