Structure Information
Structure

Compound Identification

SMILES

OC[C@]1(O)[C@@H]2O[C@]3(O)O[C@@H]1[C@@H](O)[C@]14NC(=N)N[C@@H](OC31)C24

InChIKey

InChIKey=STNXQECXKDMLJK-VIYXOGNISA-N

Formula

C11H15N3O7

Mass

301.255

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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 - Furopyran - 1,4-dioxepane - Dioxepane - Meta-dioxane - 1,3-diazinane - Monosaccharide - Oxane - Pyran - Tertiary alcohol - Cyclic alcohol - Tetrahydrofuran - Furan - Secondary alcohol - Orthocarboxylic acid derivative - Guanidine - Oxacycle - Polyol - Azacycle - Carboximidamide - Primary alcohol - Imine - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen 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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