Compound Identification
SMILES
OC1C(O)C(OC(=O)NC[C@H]2CCC3=C(O2)C(=CC(O)=C3)C2=C(Cl)C=CC=C2Cl)OC(C1O)C(O)=O
InChIKey
InChIKey=OCJJQICPUPIXRO-MJDJQTQISA-N
Formula
C23H23Cl2NO10
Mass
544.33
Taxonomic Classification
Taxonomy Tree
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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
-
Level 5
Sugar acids and derivatives
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Level 6
Glucuronic acid derivatives
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Level 7
Glucuronides
- Level 8 O-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
O-glucuronides
Alternative Parents
Hexoses 1-benzopyrans Dichlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Beta hydroxy acids and derivatives Pyrans Oxanes Aryl chlorides Carbamate esters Secondary alcohols Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Hexose monosaccharide - 1-benzopyran - Chromane - Benzopyran - 1,3-dichlorobenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Beta-hydroxy acid - Aryl halide - Oxane - Monosaccharide - Pyran - Hydroxy acid - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Polyol - Ether - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
External Descriptors
Not available