Compound Identification
SMILES
CCCC(=O)C1=C2O[C@@]3(OC)[C@@](C)(CC2=C(OC)C(C)=C1O)C(=O)O[C@@]3(C)C(O)=O
InChIKey
InChIKey=ACZQKENEXNGSNS-ACRUOGEOSA-N
Formula
C21H26O9
Mass
422.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
1-benzopyrans Aryl alkyl ketones Anisoles Ketals Alkyl aryl ethers Gamma butyrolactones Dicarboxylic acids and derivatives Vinylogous acids Oxolanes Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - Chromane - Benzopyran - 1-benzopyran - Anisole - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Ketal - Gamma butyrolactone - Dicarboxylic acid or derivatives - Vinylogous acid - Oxolane - Carboxylic acid ester - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aldehyde - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available