Compound Identification
SMILES
COC1=CC(=O)CC(CC(C)C(C)Cl)(C1)C(O)=O
InChIKey
InChIKey=NOPQCQUNDVCLCM-UHFFFAOYSA-N
Formula
C13H19ClO4
Mass
274.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Medium-chain fatty acids
-
Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain fatty acids
Alternative Parents
Halogenated fatty acids Cyclohexenones Branched fatty acids Vinylogous esters Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Medium-chain fatty acid - Branched fatty acid - Halogenated fatty acid - Cyclohexenone - Vinylogous ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl chloride - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors
Not available