Structure Information
Structure

Compound Identification

SMILES

NC(C(O)C1(O)C2OC3(O)OC1C1C(O)N=C(N)NC1(C2O)C3O)C(O)=O

InChIKey

InChIKey=USXKBURXVCBLKJ-UHFFFAOYSA-N

Formula

C13H20N4O10

Mass

392.321

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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 - Alpha-amino acid - Alpha-amino acid or derivatives - Carbocyclic fatty acid - Beta-hydroxy acid - Sugar acid - Amino saccharide - Hydroxy fatty acid - Oxane - Meta-dioxane - Hydropyrimidine - Fatty acyl - Hydroxy acid - Monosaccharide - 1,4,5,6-tetrahydropyrimidine - Cyclic alcohol - 1,3-aminoalcohol - Tertiary alcohol - Guanidine - Amino acid - Secondary alcohol - Orthocarboxylic acid derivative - Amino acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Azacycle - Carboximidamide - Carboxylic acid - Alkanolamine - Oxacycle - Polyol - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - 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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