Compound Identification
SMILES
OC(=O)C1C=CC=C(O)C1C(=O)C1=C(O)C=C(C=C1)C(=O)OC1CCCSC[C@H]1NC(=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=GMWGOKOUAIZYCL-SMDZHZBVSA-N
Formula
C28H27NO9S
Mass
553.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Thiepanes Vinylogous acids Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Enols Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - M-hydroxybenzoic acid ester - Benzoate ester - Benzamide - Benzoic acid or derivatives - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Thiepane - Phenol - Monocyclic benzene moiety - Benzenoid - Keto acid - Vinylogous acid - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Thioether - Dialkylthioether - Enol - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - 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