ClassyFire

Compound Identification

SMILES

CC(C)CC(=O)C1=C([O-])C(CC=C(C)C)=C(O)C=C1O

InChIKey

InChIKey=LWLGKGHHVBVDKB-UHFFFAOYSA-M

Formula

C16H21O4

Mass

277.341

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

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

Butyrophenones Resorcinols Benzoyl derivatives Aryl alkyl ketones Phenoxides 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives Organic anions

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Resorcinol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenoxide - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - Organic anion - Aromatic homomonocyclic 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

META CYC (CPD-7109) : a bitter acid

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