Compound Identification
SMILES
OCN(CCCC(O)C1=C[N+](=CC=C1)C1OC(C(O)C(O)C1O)C(O)=O)N=O
InChIKey
InChIKey=NWGXHDUAAQJQNN-UHFFFAOYSA-O
Formula
C16H24N3O9
Mass
402.379
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
Glycosylamines Beta hydroxy acids and derivatives Pyridinium derivatives Pyrans Oxanes Heteroaromatic compounds Secondary alcohols Organic N-nitroso compounds Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Alkanolamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-glucuronide - N-glycosyl compound - Glycosyl compound - Beta-hydroxy acid - Pyridinium - Pyridine - Pyran - Oxane - Hydroxy acid - Heteroaromatic compound - Organic n-nitroso compound - Secondary alcohol - Organic nitroso compound - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organonitrogen compound - Carbonyl group - Alcohol - Organic cation - 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