Compound Identification
SMILES
CCOC(=O)C(CC)=CC(O)C(O)C=CC(O)=O
InChIKey
InChIKey=LBBKWVVGGZBRCG-UHFFFAOYSA-N
Formula
C12H18O6
Mass
258.27
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 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
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 - Fatty acyl - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-diol - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - 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