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Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1CN[C@@H]2CC3=CNC4=CC=CC([C@H]2O1)=C34

InChIKey

InChIKey=KWBAURJKQSMUKM-IAUSTGCCSA-N

Formula

C14H14N2O3

Mass

258.277

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Oxaergolines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Oxaergolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Oxaergoline skeleton - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Morpholine-2-carboxylic acid - Morpholine-2-carboxylic acid or derivatives - Aralkylamine - Morpholine - Benzenoid - Oxazinane - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as oxaergolines. These are alkaloids with a structure based on the oxaergoline skeleton, an analog of ergoline obtained by substituted one of the pyridine C atom by an oxygen atom.

External Descriptors

Not available

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