Compound Identification
SMILES
COC1=C(OC)C=C(CCCC2(O)C=C(Cl)C(=O)\C2=C\CCCCCC(O)=O)C=C1
InChIKey
InChIKey=YJUISIXLDXACTE-MFOYZWKCSA-N
Formula
C23H29ClO6
Mass
436.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Long-chain fatty acids
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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
Long-chain fatty acids
Alternative Parents
Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Hydroxy fatty acids Halogenated fatty acids Tertiary alcohols Alpha-chloroketones Cyclic ketones Vinyl chlorides Monocarboxylic acids and derivatives Chloroalkenes Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Long-chain fatty acid - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Halogenated fatty acid - Hydroxy fatty acid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha-chloroketone - Alpha-haloketone - Tertiary alcohol - Cyclic ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
External Descriptors
Not available