Compound Identification
SMILES
CC(O)(C1C(O)CC(C)(C=C)C(C1O)C(=C)C(O)=O)C(O)=O
InChIKey
InChIKey=OIVNJISRNHOMGU-UHFFFAOYSA-N
Formula
C15H22O7
Mass
314.334
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
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
Cyclohexanols Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Elemane sesquiterpenoid - Cyclohexanol - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aliphatic 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