Compound Identification
SMILES
OC(C(O)C([O-])=O)C([O-])=O.[NH3+]C[C@H](O)C1=CC=C(O)C=C1.[NH3+]C[C@H](O)C1=CC=C(O)C=C1
InChIKey
InChIKey=YXXSISGDJGVZBO-QXGOIDDHSA-N
Formula
C20H28N2O10
Mass
456.448
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Hydroxy acids and derivatives
- Subclass Beta hydroxy acids and derivatives
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Class
Hydroxy acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Beta hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta hydroxy acids and derivatives
Alternative Parents
Short-chain hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Benzene and substituted derivatives Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Quaternary ammonium salts Secondary alcohols 1,2-diols Carboxylic acid salts 1,2-aminoalcohols Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Monoalkylamines Organic oxides Organic zwitterions
Molecular Framework
Not available
Substituents
1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Aralkylamine - Phenol - Short-chain hydroxy acid - Monosaccharide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Fatty acid - Benzenoid - Quaternary ammonium salt - Secondary alcohol - 1,2-aminoalcohol - 1,2-diol - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Alcohol - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
External Descriptors
Not available