Compound Identification
SMILES
CCOC1=CC=C(C=C1)C(=O)N[C@@H]([C@@H](C)O)C([O-])=O
InChIKey
InChIKey=BXTMOOUVMOFGQA-KCJUWKMLSA-M
Formula
C13H16NO5
Mass
266.274
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
-
Level 6
Hippuric acids and derivatives
- Level 7 Hippuric acids
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Level 6
Hippuric acids and derivatives
-
Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Beta hydroxy acids and derivatives Secondary carboxylic acid amides Carboxylic acid salts Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Hydroxy acid - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Secondary alcohol - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available