Compound Identification
SMILES
CCC(SC1=CC=CC=C1)([C@H]1CC[C@](C)(C=C)[C@H](C1)C(C)=C)C(=O)OC
InChIKey
InChIKey=FHKSYWRMTBIMRM-LEDOCMNTSA-N
Formula
C23H32O2S
Mass
372.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Sesquiterpenoids
- Level 5 Elemane sesquiterpenoids
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Subclass
Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Elemane sesquiterpenoids
Alternative Parents
Thiophenol ethers Fatty acid esters Alkylarylthioethers Benzene and substituted derivatives Methyl esters Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Elemane sesquiterpenoid - Aryl thioether - Thiophenol ether - Fatty acid ester - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Methyl ester - Carboxylic acid ester - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively.
External Descriptors
Not available