Compound Identification
SMILES
CCC(C1=C(C=C(C)S1)C(=O)CC(C)(C)CC(O)=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=KMTYDJUUFDDDLK-UHFFFAOYSA-N
Formula
C22H28O3S
Mass
372.52
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 Phenylpropanes Medium-chain fatty acids Aryl alkyl ketones 2,3,5-trisubstituted thiophenes Toluenes Methyl-branched fatty acids Heterocyclic fatty acids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Phenylpropane - Aryl alkyl ketone - Aryl ketone - 2,3,5-trisubstituted thiophene - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Methyl-branched fatty acid - Toluene - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Heteroaromatic compound - Thiophene - Ketone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic 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