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)C(O)O)[C@@]3([H])O
InChIKey
InChIKey=FPIMGHUQQSRSTB-QWFAYQNMSA-N
Formula
C11H17N3O9
Mass
335.269
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
-
Level 5
Quinazolines
- Level 6 Tetrodotoxins
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Level 5
Quinazolines
-
Subclass
Benzodiazines
-
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 Oxanes Diazinanes Monosaccharides Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Orthocarboxylic acid derivatives Guanidines Polyols Alkanolamines Azacyclic compounds Oxacyclic compounds Carboximidamides Carbonyl hydrates Organopnictogen compounds Imines Hydrocarbon derivatives
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 - Carbonyl hydrate - Alkanolamine - Azacycle - Carboximidamide - 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