Compound Identification
SMILES
[H][C@]1(O)NC(=N)N[C@@]23[C@]([H])(O)[C@]4([H])O[C@@](O)(O[C@]([H])([C@]12[H])[C@@]4(O)CO)[C@@]3([H])O
InChIKey
InChIKey=CFMYXEVWODSLAX-QOZOJKKESA-N
Formula
C11H17N3O8
Mass
319.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
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Subclass
Benzodiazines
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Level 5
Quinazolines
- Level 6 Tetrodotoxins
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Level 5
Quinazolines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Tetrodotoxins
Alternative Parents
1,3-dioxanes Diazinanes Monosaccharides Oxanes Tertiary alcohols Orthocarboxylic acid derivatives Guanidines Cyclic alcohols and derivatives Secondary alcohols Carboximidamides Oxacyclic compounds Azacyclic compounds Alkanolamines Polyols Organopnictogen compounds Imines Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tetrodotoxin-skeleton - Meta-dioxane - 1,3-diazinane - Monosaccharide - Oxane - Cyclic alcohol - Tertiary alcohol - Guanidine - Orthocarboxylic acid derivative - Secondary alcohol - Polyol - Oxacycle - Alkanolamine - Azacycle - Carboximidamide - Primary alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Imine - Organic nitrogen compound - Organopnictogen compound - 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