Compound Identification
SMILES
[Na+].COC(=O)C1C(CC([O-])=CC1=O)C1CCOCC1
InChIKey
InChIKey=VMXQKLKMSBAUDO-UHFFFAOYSA-M
Formula
C13H17NaO5
Mass
276.264
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
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Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Oxanes 1,3-dicarbonyl compounds Vinylogous acids Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Cyclohexenone - 1,3-dicarbonyl compound - Oxane - Vinylogous acid - Methyl ester - Carboxylic acid ester - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available