Compound Identification
SMILES
COC1=CC=C(CCCCCC(C(C)=O)C(O)=O)C=C1
InChIKey
InChIKey=CWGDVHSWHSHLMI-UHFFFAOYSA-N
Formula
C16H22O4
Mass
278.348
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 Methoxybenzenes Anisoles Branched fatty acids Beta-keto acids and derivatives Alkyl aryl ethers Beta-hydroxy ketones 1,3-dicarbonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Medium-chain keto acid - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Beta-keto acid - Branched fatty acid - Beta-hydroxy ketone - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Ketone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - 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