Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC1=CC(=O)[C@]2(CO)O[C@@H]2[C@H]1O

InChIKey

InChIKey=JYYJQJKNUQRQSW-YIZRAAEISA-N

Formula

C9H11NO5

Mass

213.189

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones

Direct Parent

Cyclohexenones

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cyclohexenone - Vinylogous amide - Acetamide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Alcohol - Primary alcohol - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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

CHEBI:84360 : tertiary alcohol - epoxide - enone - primary alcohol - oxabicycloalkane - acetamide - cyclohexenones

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