Compound Identification
SMILES
CCOC(=O)C(=O)C(O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=UJQUTDAKPVVNRD-UHFFFAOYSA-N
Formula
C11H11BrO4
Mass
287.109
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpyruvic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyruvic acid derivatives
Alternative Parents
Fatty acid esters Bromobenzenes Beta hydroxy acids and derivatives Monosaccharides Aryl bromides Alpha-keto acids and derivatives Acyloins Alpha-hydroxy ketones Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpyruvate - Beta-hydroxy acid - Bromobenzene - Fatty acid ester - Halobenzene - Acyloin - Alpha-keto acid - Aryl bromide - Aryl halide - Fatty acyl - Hydroxy acid - Keto acid - Monosaccharide - Alpha-hydroxy ketone - Carboxylic acid ester - Ketone - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
External Descriptors
Not available