Compound Identification
SMILES
O=C(CCC(=O)OCC(=O)C1=CC=C(OC(=O)C2=CC=CO2)C=C1)NCC1=CC=CO1
InChIKey
InChIKey=FRAIEQPBBJFJTO-UHFFFAOYSA-N
Formula
C22H19NO8
Mass
425.393
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
Phenol esters Furoic acid esters Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Alpha-acyloxy ketones Fatty acid esters N-acyl amines Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenol ester - Furoic acid ester - Benzoyl - Furoic acid or derivatives - Phenoxy compound - Aryl alkyl ketone - Fatty acid ester - Alpha-acyloxy ketone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Benzenoid - Fatty acyl - Furan - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Aldehyde - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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