Compound Identification
SMILES
CON(CCCC1=CC=C(C=C1)N(CCCl)CCCl)C1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
InChIKey
InChIKey=HJELGBLHWZEQFG-QTXQBRDBSA-N
Formula
C20H30Cl2N2O7
Mass
481.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Sugar acids and derivatives
-
Level 6
Glucuronic acid derivatives
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Level 7
Glucuronides
- Level 8 N-glucuronides
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Level 7
Glucuronides
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Level 6
Glucuronic acid derivatives
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Level 5
Sugar acids and derivatives
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides
Direct Parent
N-glucuronides
Alternative Parents
Hexoses Glycosylamines Aniline and substituted anilines Dialkylarylamines Nitrogen mustard compounds Beta hydroxy acids and derivatives Pyrans Oxanes Secondary alcohols Amino acids Polyols Oxacyclic compounds Carboxylic acids N-organohydroxylamines Monocarboxylic acids and derivatives Alkyl chlorides Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-glucuronide - 1-n-glucuronide - Hexose monosaccharide - Glycosyl compound - N-glycosyl compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Nitrogen mustard - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Benzenoid - Pyran - Oxane - Amino acid or derivatives - Amino acid - Tertiary amine - Secondary alcohol - Polyol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - N-organohydroxylamine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Alkyl chloride - Organohalogen compound - Organochloride - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Organic nitrogen compound - Alkyl halide - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a N-glycosidic bond.
External Descriptors
Not available