Compound Identification
SMILES
CC(C)COC1=C(C=C(C=C1)C1=NC(C)=C(S1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O)C#N
InChIKey
InChIKey=ZRXRMGPMLDOOKN-UHFFFAOYSA-N
Formula
C22H24N2O9S
Mass
492.5
Taxonomic Classification
Taxonomy Tree
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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 Thiazolecarboxylic acids and derivatives Benzonitriles Phenoxy compounds Phenol ethers 2,4,5-trisubstituted thiazoles Beta hydroxy acids and derivatives Alkyl aryl ethers Pyrans Dicarboxylic acids and derivatives Oxanes Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Azacyclic compounds Polyols Carboxylic acids Nitriles Acetals Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Hexose monosaccharide - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Benzonitrile - Phenol ether - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Beta-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Oxane - Pyran - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Polyol - Azacycle - Carboxylic acid derivative - Nitrile - Carboxylic acid - Acetal - Ether - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Alcohol - Organopnictogen compound - Carbonyl group - Aromatic heteromonocyclic 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