Structure Information
Structure

Compound Identification

SMILES

C\C=C/[C@H]1C=CC(=O)[C@@H](O)C11C(=O)OC(C)C1=O

InChIKey

InChIKey=XVPWAOPLQPCZBW-KDWXQYFZSA-N

Formula

C13H14O5

Mass

250.25

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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 - Gamma butyrolactone - 3-furanone - Tetrahydrofuran - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Alcohol - 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

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