Compound Identification
SMILES
COC12CC(=O)C(C(C)=O)=C(O)C1(C)C1=C(OC(C)=O)C(C)=C(O)C(C(C)=O)=C1O2
InChIKey
InChIKey=CWWAWNMPYSUDKT-UHFFFAOYSA-N
Formula
C21H22O9
Mass
418.398
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Acetophenones
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Acetophenones
Intermediate Tree Nodes
Not available
Direct Parent
Acetophenones
Alternative Parents
Coumarans Aryl alkyl ketones Ketals Cyclohexenones Vinylogous acids Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Enols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acetophenone - Coumaran - Aryl ketone - Aryl alkyl ketone - Ketal - Cyclohexenone - Vinylogous acid - Carboxylic acid ester - Ketone - Cyclic ketone - Monocarboxylic acid or derivatives - Enol - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as acetophenones. These are organic compounds containing the acetophenone structure.
External Descriptors
Not available