Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(O)=O.O[C@@H](CNCCCCC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=LGNBHTFGSWCXSV-UQIIZPHYSA-N

Formula

C27H31NO8

Mass

497.544

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylbutylamines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylbutylamines

Alternative Parents

Molecular Framework

Not available

Substituents

Phenylbutylamine - Phenoxy compound - Catechol - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aralkylamine - Phenol - Dicarboxylic acid or derivatives - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Secondary amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Alcohol - Organic nitrogen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.

External Descriptors

Not available

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