Compound Identification
SMILES
OCC1=C(C=C(NC2OC(C(O)C(O)C2O)C(O)=O)C=C1[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=YUJTWRHLSBYUJS-UHFFFAOYSA-N
Formula
C13H15N3O11
Mass
389.273
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 N-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
N-glucuronides
Alternative Parents
Glycosylamines Nitrobenzenes Nitro fatty acids Phenylalkylamines Nitroaromatic compounds Benzyl alcohols Short-chain hydroxy acids and derivatives Secondary alkylarylamines Hydroxy fatty acids Heterocyclic fatty acids Branched fatty acids Beta hydroxy acids and derivatives Pyrans Oxanes Secondary alcohols Amino acids Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organopnictogen compounds Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-glucuronide - N-glycosyl compound - Glycosyl compound - Nitrobenzene - Nitro fatty acid - Nitroaromatic compound - Phenylalkylamine - Benzyl alcohol - Short-chain hydroxy acid - Secondary aliphatic/aromatic amine - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Beta-hydroxy acid - Fatty acyl - Benzenoid - Pyran - Oxane - Hydroxy acid - Monocyclic benzene moiety - Amino acid - Organic nitro compound - Secondary alcohol - C-nitro compound - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Polyol - Organic oxoazanium - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organonitrogen compound - Organic hyponitrite - Amine - Alcohol - 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