Compound Identification
SMILES
[Na+].CCCC1=C(OCC(O)COC2=CC3=C(C=C2)C(=O)C=C(O3)C([O-])=O)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=UODBUXWYFDAUCR-UHFFFAOYSA-M
Formula
C24H23NaO9
Mass
478.429
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
Chromones Phenylpropanes Acetophenones Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Oxacyclic compounds Carboxylic acids Organic oxides Organic sodium salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Chromone - 1-benzopyran - Benzopyran - Phenylpropane - Acetophenone - Phenoxy compound - Aryl alkyl ketone - Phenol ether - Benzoyl - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Carboxylic acid salt - Secondary alcohol - Ether - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Oxacycle - Organic salt - Organic oxide - Organic sodium salt - Hydrocarbon derivative - Alcohol - Organic cation - Aromatic heteropolycyclic 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