Structure Information
Structure

Compound Identification

SMILES

NC1=[NH+]C(O)C2CC(O)(CO)C3OC(=O)[C@@H](O)C2(N1)C3O

InChIKey

InChIKey=MUWJNPOMZLQMND-RRKGTUKXSA-O

Formula

C11H18N3O7

Mass

304.278

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Quinazolines

Direct Parent

Tetrodotoxins

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Tetrodotoxin-skeleton - Delta valerolactone - Delta_valerolactone - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Oxane - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Guanidine - Lactone - Secondary alcohol - Alkanolamine - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboximidamide - Polyol - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Organic cation - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as tetrodotoxins. These are compounds structurally characterized by the presence of the tetrodotoxin skeleton, which is based on 5,7-(epoxymethanooxy)quinazolin-10-olate moiety.

External Descriptors

Not available

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