Compound Identification
SMILES
[Na+].CC(=O)C1=C(O)C(CC=C)=C(OCC(O)COC2=C(CC=C)C3=C(C=C2)C(=O)C=C(O3)C([O-])=O)C=C1
InChIKey
InChIKey=WDAMRXVLWUHFGD-UHFFFAOYSA-M
Formula
C27H25NaO9
Mass
516.478
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 Acetophenones Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Organic sodium salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Chromone - 1-benzopyran - Benzopyran - Acetophenone - Phenoxy compound - Aryl alkyl ketone - Phenol ether - Benzoyl - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Pyran - 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