Compound Identification
SMILES
COC(=O)C(C)=C[C@H]1[C@@H](C(=O)OCC2=CC(Cl)=CC=C2)C1(C)C
InChIKey
InChIKey=QSHJYVJJXGLBEZ-GJZGRUSLSA-N
Formula
C18H21ClO4
Mass
336.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Aromatic monoterpenoids
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Subclass
Monoterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Aromatic monoterpenoids
Alternative Parents
Monocyclic monoterpenoids Benzyloxycarbonyls Carbocyclic fatty acids Fatty acid esters Chlorobenzenes Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids and derivatives Aryl chlorides Methyl esters Enoate esters Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aromatic monoterpenoid - Benzyloxycarbonyl - Monocyclic monoterpenoid - Carbocyclic fatty acid - Chlorobenzene - Fatty acid ester - Halobenzene - Benzenoid - Fatty acyl - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Cyclopropanecarboxylic acid or derivatives - Monocyclic benzene moiety - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
External Descriptors
Not available