Compound Identification
SMILES
CC(=O)C1=CC2=C(O[C@@H]([C@H]2O)C(=C)CO)C=C1
InChIKey
InChIKey=YGRKPHJHMPSHAJ-QWHCGFSZSA-N
Formula
C13H14O4
Mass
234.251
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 Alkyl aryl ethers Secondary alcohols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acetophenone - Coumaran - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Ketone - Secondary alcohol - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Alcohol - Organic oxide - 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