Compound Identification
SMILES
OC(C(O)C(O)=O)C(O)=O.CCN1CCCC1CNC(=O)C1=C(O)C(CC)=CC(Br)=C1OC
InChIKey
InChIKey=OOARQPDKIIDZEH-UHFFFAOYSA-N
Formula
C21H31BrN2O9
Mass
535.388
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 Beta hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Secondary alcohols 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Beta-hydroxy acid - Short-chain hydroxy acid - Sugar acid - Alpha-hydroxy acid - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Fatty acid - Secondary alcohol - 1,2-diol - Carboxylic acid - Carboxylic acid derivative - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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