Compound Identification
SMILES
NC1=CC=CC=C1C(=O)C(O)C(O)COP([O-])([O-])=O
InChIKey
InChIKey=HWAAADPBWNLSNG-UHFFFAOYSA-L
Formula
C10H12NO7P
Mass
289.181
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones Monosaccharide phosphates Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Beta-hydroxy ketones Alkyl phosphates Acyloins Vinylogous amides Alpha-hydroxy ketones Secondary alcohols 1,2-diols Hydrocarbon derivatives Organic oxides Primary amines Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Monosaccharide phosphate - Benzoyl - Aniline or substituted anilines - Aryl alkyl ketone - Acyloin - Monocyclic benzene moiety - Beta-hydroxy ketone - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Benzenoid - Alpha-hydroxy ketone - Vinylogous amide - Secondary alcohol - 1,2-diol - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Organonitrogen compound - Primary amine - Organic nitrogen compound - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available