Compound Identification
SMILES
OC1C(NNC(=O)C2=CC=NC=C2)OC(C(O)C1O)C(O)=O
InChIKey
InChIKey=QVJOLLPKYFYTIH-UHFFFAOYSA-N
Formula
C12H15N3O7
Mass
313.266
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
-
Level 7
Glucuronides
- Level 8 N-glucuronides
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Level 7
Glucuronides
-
Level 6
Glucuronic acid derivatives
-
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
N-glucuronides
Alternative Parents
Pyridinecarboxylic acids and derivatives Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Heteroaromatic compounds Secondary alcohols Carboxylic acid hydrazides Azacyclic compounds Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-n-glucuronide - Pyridine carboxylic acid or derivatives - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Oxane - Pyran - Pyridine - Heteroaromatic compound - Carboxylic acid hydrazide - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Polyol - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Alcohol - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a N-glycosidic bond.
External Descriptors
Not available