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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzoxepines
- Subclass Dibenzoxepines
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Class
Benzoxepines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Dibenzoxepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzoxepines
Alternative Parents
O-glucuronides Hexoses Diarylethers Pyrrolidine carboxylic acids Beta hydroxy acids and derivatives Pyrans Aryl chlorides Oxanes Benzenoids Carbamate esters Secondary alcohols Acetals Polyols Azacyclic compounds Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
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