Structure Information
Structure

Compound Identification

SMILES

NC1=N[C@H](O)[C@H]2[C@@H]3O[C@@]4(O)O[C@H]([C@H](O)C2(N1)[C@@H]4O)[C@]3(O)CO

InChIKey

InChIKey=CFMYXEVWODSLAX-CRASQMOASA-N

Formula

C11H17N3O8

Mass

319.27

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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 - Meta-dioxane - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Monosaccharide - Oxane - Cyclic alcohol - Tertiary alcohol - Guanidine - Orthocarboxylic acid derivative - Secondary alcohol - Alkanolamine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Polyol - Carboximidamide - Alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Primary alcohol - Hydrocarbon derivative - 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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