Compound Identification
SMILES
[13CH3][13C](=O)N[13C]1=[13CH][13C](=O)[13C@]2([13CH2]O)O[13C@@H]2[13C@H]1O
InChIKey
InChIKey=JYYJQJKNUQRQSW-PTGLFFTDSA-N
Formula
C9H11NO5
Mass
222.12
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
Vinylogous amides Acetamides Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Epoxides Dialkyl ethers Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cyclohexenone - Vinylogous amide - Acetamide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Alcohol - Primary alcohol - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic 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