Structure Information
Structure

Compound Identification

SMILES

OC(=O)C=CC(O)=O.CC(C)NCCC1=C2CC=CC=C2OC2=CC=CC=C2O1

InChIKey

InChIKey=ZSMOPKBTTMGJFK-UHFFFAOYSA-N

Formula

C22H25NO6

Mass

399.443

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dioxepines

Subclass

1,4-dioxepines

Intermediate Tree Nodes

Not available

Direct Parent

1,4-dioxepines

Alternative Parents

Molecular Framework

Not available

Substituents

1,4-dioxepine - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Oxacycle - Organonitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-dioxepines. These are dioxepines with the two ring oxygen atoms at position 1 and 4, respectively.

External Descriptors

Not available

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