Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Butyrophenones

Intermediate Tree Nodes

Not available

Direct Parent

Butyrophenones

Alternative Parents

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

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