Compound Identification
SMILES
O[C@@H](C(F)C(=O)C(O)=O)C1=CC=CC=N1
InChIKey
InChIKey=MEFJAJABIPWEJS-COBSHVIPSA-N
Formula
C9H8FNO4
Mass
213.164
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Halogenated fatty acids
-
Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Halogenated fatty acids
Alternative Parents
Hydroxy fatty acids Pyridines and derivatives Alpha-keto acids and derivatives Beta-hydroxy ketones Alpha-haloketones Alpha-hydroxy ketones Heteroaromatic compounds Secondary alcohols Fluorohydrins Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Aromatic alcohols Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halogenated fatty acid - Hydroxy fatty acid - Alpha-keto acid - Beta-hydroxy ketone - Pyridine - Keto acid - Alpha-haloketone - Alpha-hydroxy ketone - Heteroaromatic compound - Fluorohydrin - Halohydrin - Secondary alcohol - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Aromatic alcohol - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Alcohol - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
External Descriptors
Not available