Compound Identification
SMILES
O[C@@H]([C@@H](O)C(O)=O)C(O)=O.CNC[C@H](O)C1=CC(O)=CC=C1
InChIKey
InChIKey=NHKOTKKHHYKARN-AICCQWMNSA-N
Formula
C13H19NO8
Mass
317.294
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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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
Not available
Direct Parent
Sugar acids and derivatives
Alternative Parents
Short-chain hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Beta hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Aromatic alcohols
Molecular Framework
Not available
Substituents
Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Short-chain hydroxy acid - Sugar acid - Beta-hydroxy acid - Aralkylamine - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Alpha-hydroxy acid - Monocyclic benzene moiety - Fatty acid - Benzenoid - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
External Descriptors
Not available