Compound Identification
SMILES
OC(=O)C(=O)C=CC=C([O-])OC1=CC=CC=C1O
InChIKey
InChIKey=SLZNNCMHYZHFSR-UHFFFAOYSA-M
Formula
C12H9O6
Mass
249.199
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Medium-chain keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain keto acids and derivatives
Alternative Parents
Phenoxy compounds Hydroxy fatty acids 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Unsaturated fatty acids Alpha-keto acids and derivatives Enones Alpha-hydroxy ketones Acryloyl compounds Ketene acetals Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Medium-chain keto acid - Phenoxy compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Hydroxy fatty acid - Phenol - Alpha-keto acid - Unsaturated fatty acid - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Alpha-hydroxy ketone - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Ketene acetal or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available