Compound Identification
SMILES
O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)OC1(CC#N)CC=CC=C1
InChIKey
InChIKey=FKWCTVYTYGPTDF-RJXOAYJSSA-N
Formula
C14H17NO7
Mass
311.29
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 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
Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Secondary alcohols Hemiacetals Carboxylic acid esters 1,2-diols Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Glucuronic acid or derivatives - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Oxane - Pyran - 1,2-diol - Carboxylic acid ester - Hemiacetal - Secondary alcohol - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Polyol - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Alcohol - Carbonyl group - Organic nitrogen compound - Aliphatic 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