Molecule ID: 23652017

IUPAC Name: 9-methoxy-3-methoxycarbonyl-2-methylidene-9-oxononanoic acid

Description: The molecule is a tensyuic acid that is tensyuic acid B in which the non-conjugated carboxy group has been converted to the corresponding methyl ester. The (+)-isomer, isolated from Aspergillus niger FKI-2342. It has a role as an Aspergillus metabolite. It is a tensyuic acid and a methyl ester. It derives from a tensyuic acid B.

SMILES: C=C(C(=O)O)C(CCCCCC(=O)OC)C(=O)OC

SELFIES: [C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][N][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C]

InChI: InChI=1S/C13H20O6/c1-9(12(15)16)10(13(17)19-3)7-5-4-6-8-11(14)18-2/h10H,1,4-8H2,2-3H3,(H,15,16)

Molecular Properties:
- Polar Surface Area: 89.9 Ų
- LogP: 1.8