Compound Identification
SMILES
C[C@H](C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C1=CC2=C(OC(=N2)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=FMHXTOVNUBYPFK-JEHSWSDASA-N
Formula
C22H20ClNO9
Mass
477.85
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
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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 Phenyl-1,3-oxazoles Benzoxazoles Chlorobenzenes Beta hydroxy acids and derivatives Pyrans Oxanes Dicarboxylic acids and derivatives Aryl chlorides Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Carboxylic acids Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-glucuronide - 1-o-glucuronide - Hexose monosaccharide - Phenyl-1,3-oxazole - Benzoxazole - Halobenzene - Chlorobenzene - Beta-hydroxy acid - Benzenoid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Oxazole - Azole - Secondary alcohol - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alcohol - 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