Compound Identification
SMILES
O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O.CCOC1=CN=CC(\C=C\CCNC)=C1
InChIKey
InChIKey=DXIJSFBMOKQESU-SJHRKOELSA-N
Formula
C18H28N2O9
Mass
416.427
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 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
Direct Parent
Glucuronic acid derivatives
Alternative Parents
Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Alkyl aryl ethers Beta hydroxy acids and derivatives Hydroxy fatty acids Alpha hydroxy acids and derivatives Dicarboxylic acids and derivatives Pyridines and derivatives Monosaccharides Heteroaromatic compounds Secondary alcohols 1,2-diols Dialkylamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Glucuronic acid or derivatives - Medium-chain hydroxy acid - Medium-chain fatty acid - Alkyl aryl ether - Beta-hydroxy acid - Hydroxy fatty acid - Alpha-hydroxy acid - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Pyridine - Hydroxy acid - Monosaccharide - Heteroaromatic compound - 1,2-diol - Secondary alcohol - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Ether - Secondary amine - Polyol - Alcohol - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - 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