Structure Information
Structure

Compound Identification

SMILES

Oc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.OCC1(O)C2OC3(O)OC1C1C(O)NC(=N)NC1(C2O)C3O

InChIKey

InChIKey=IMLBEOIKETYOQN-UHFFFAOYSA-N

Formula

C17H20N6O15

Mass

548.374

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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

Not available

Substituents

Tetrodotoxin-skeleton - Nitrophenol - Nitrobenzene - Nitroaromatic compound - Phenol - Meta-dioxane - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Cyclic alcohol - Tertiary alcohol - Guanidine - C-nitro compound - Organic nitro compound - Orthocarboxylic acid derivative - Secondary alcohol - Alkanolamine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboximidamide - Polyol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Primary alcohol - Alcohol - Aromatic 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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