Compound Identification
SMILES
CCOC(=O)C(CC)=CC(O)C(O)C=CC([O-])=O
InChIKey
InChIKey=LBBKWVVGGZBRCG-UHFFFAOYSA-M
Formula
C12H17O6
Mass
257.263
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Medium-chain hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain hydroxy acids and derivatives
Alternative Parents
Medium-chain fatty acids Methyl-branched fatty acids Hydroxy fatty acids Fatty acid esters Unsaturated fatty acids Dicarboxylic acids and derivatives Enoate esters Secondary alcohols Carboxylic acid salts 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain hydroxy acid - Medium-chain fatty acid - Branched fatty acid - Fatty acid ester - Hydroxy fatty acid - Methyl-branched fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Unsaturated fatty acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-diol - Carboxylic acid ester - Carboxylic acid salt - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic anion - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available