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Structure Information
Structure

Compound Identification

SMILES

OS([O-])(=O)=O.COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)[NH2+]CCC3=C1

InChIKey

InChIKey=JTCAHWWRZBIDHA-UHFFFAOYSA-N

Formula

C18H21NO7S

Mass

395.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Proaporphines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Proaporphines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Proaporphine - Tetrahydroisoquinoline - Indane - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Organic sulfuric acid or derivatives - Quaternary ammonium salt - Cyclic ketone - Ketone - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Ether - Organic salt - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as proaporphines. These are benzylisoquinoline derivatives characterized by the presence of a spirocyclohexane ring that can occur in various oxidation levels, from cyclohexadienone to cyclohexanol.

External Descriptors

Not available

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