Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)N2CC3C(C2)C2=C(OC4=CC=CC=C34)C=CC(Cl)=C2)O[C@@H]([C@H]1O)C(O)=O

InChIKey

InChIKey=MONYWLCNIOIULX-NXYWHHHKSA-N

Formula

C23H22ClNO9

Mass

491.88

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Dibenzoxepines

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzoxepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzoxepine - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Diaryl ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Beta-hydroxy acid - Aryl chloride - Aryl halide - Benzenoid - Hydroxy acid - Monosaccharide - Pyran - Oxane - Carbamic acid ester - Pyrrolidine - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Polyol - Ether - Monocarboxylic acid or derivatives - Acetal - Azacycle - Oxacycle - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.

External Descriptors

Not available

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