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-KZKMUFAMSA-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 Alpha hydroxy acids and derivatives Monosaccharides Benzene and substituted derivatives Dicarboxylic acids and derivatives Fatty acids and conjugates Secondary alcohols 1,2-diols 1,2-aminoalcohols Carboxylic acids Dialkylamines Hydrocarbon derivatives Aromatic alcohols Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Short-chain hydroxy acid - Sugar acid - Aralkylamine - Alpha-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Fatty acid - Benzenoid - 1,2-aminoalcohol - Secondary alcohol - 1,2-diol - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organonitrogen compound - Amine - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic 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