Compound Identification
SMILES
COC(=O)[C@@H]1C[C@@H](O)[C@H](O)[C@H](O1)N1C=C(CC#N)C2=C1C=CC=C2OC
InChIKey
InChIKey=HTFYSSZLIDVAIP-QCPWZWHMSA-N
Formula
C18H20N2O6
Mass
360.366
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 3-alkylindoles N-alkylindoles Anisoles Alkyl aryl ethers Substituted pyrroles Pyrans Oxanes Methyl esters Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-glucuronide - Glycosyl compound - N-glycosyl compound - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Oxane - Pyran - Substituted pyrrole - Benzenoid - Pyrrole - Methyl ester - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Carbonitrile - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Cyanide - Carbonyl group - Alcohol - Organonitrogen compound - Aromatic heteropolycyclic 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