Compound Identification
SMILES
OC(=O)C1C=CC=C(O)C1C(=O)C1=C(O)C=C(C=C1)C(=O)OC1CCCS(=O)(=O)C[C@H]1NC(=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=ADLAVXQQDSIZNQ-SMDZHZBVSA-N
Formula
C28H27NO11S
Mass
585.58
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
m-Hydroxybenzoic acid esters Benzamides Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Thiepanes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Sulfones Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Carboxylic acids Enols Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - M-hydroxybenzoic acid ester - Benzoate ester - Benzamide - Benzoic acid or derivatives - Gamma-keto acid - Benzoyl - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Thiepane - Keto acid - Benzenoid - Monocyclic benzene moiety - Sulfone - Vinylogous acid - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Enol - Carboxylic acid - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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