Compound Identification
SMILES
CCC=CC[C@H]1[C@@H](CC([O-])=O)CCC1=O
InChIKey
InChIKey=ZNJFBWYDHIGLCU-ZJUUUORDSA-M
Formula
C12H17O3
Mass
209.266
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Lineolic acids and derivatives
- Level 5 Jasmonic acids
-
Subclass
Lineolic acids and derivatives
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Lineolic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Jasmonic acids
Alternative Parents
Cyclic ketones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Jasmonic acid - Cyclic ketone - Ketone - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic anion - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as jasmonic acids. These are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety.
External Descriptors
Not available