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Structure Information
Structure

Compound Identification

SMILES

CCCN1C[C@@H](CC2[C@H]1CC1C(=O)N(C(C)C)C3=CC=CC2=C13)C(=O)OC1CCCCC1

InChIKey

InChIKey=HCNZWQSKOULXQP-BEBLGJCVSA-N

Formula

C27H38N2O3

Mass

438.612

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Ergoline and derivatives

Subclass

Lysergic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Lysergic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Lysergic acid or derivatives - 6,7-secoergoline - Benzoquinoline - Isoindolone - Tetralin - Quinoline - Indole or derivatives - Isoindole or derivatives - Piperidinecarboxylic acid - Aralkylamine - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton.

External Descriptors

Not available

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