Compound Identification
SMILES
O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O.N\C(NC1=CC=C(Cl)C=C1)=N/C(N)=NCCCCCCN=C(N)\N=C(/N)NC1=CC=C(Cl)C=C1
InChIKey
InChIKey=CBVXXJRXLKUVGY-FIIVWNSQSA-N
Formula
C28H40Cl2N10O7
Mass
699.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
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Level 5
Sugar acids and derivatives
- Level 6 Glucuronic acid derivatives
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Level 5
Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
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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
Direct Parent
Glucuronic acid derivatives
Alternative Parents
Beta hydroxy acids and derivatives Biguanides Chlorobenzenes Pyrans Oxanes Aryl chlorides Monosaccharides Secondary alcohols 1,2-diols Hemiacetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Organochlorides Organic oxides Carbonyl compounds Imines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Glucuronic acid or derivatives - Halobenzene - Chlorobenzene - Biguanide - Beta-hydroxy acid - Hydroxy acid - Benzenoid - Pyran - Oxane - Monosaccharide - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Hemiacetal - 1,2-diol - Secondary alcohol - Guanidine - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Polyol - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
External Descriptors
Not available