Compound Identification
SMILES
CC(=C)[C@@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C
InChIKey
InChIKey=PIMZUZSSNYHVCU-WHHVQDKOSA-N
Formula
C15H16O6
Mass
292.287
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
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Subclass
Lineolic acids and derivatives
- Level 5 Jasmonic acids
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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
Fatty alcohol esters Furopyrans Oxepanes Fatty acid esters Pyrans Oxirane carboxylic acids Oxanes Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Tertiary alcohols Furans Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Jasmonic acid - Fatty alcohol ester - Furopyran - Caprolactone - Oxepane - Fatty acid ester - Pyran - Oxirane carboxylic acid or derivatives - Oxirane carboxylic acid - Oxane - Gamma butyrolactone - Dicarboxylic acid or derivatives - Tetrahydrofuran - Tertiary alcohol - Furan - Cyclic alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic 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