Compound Identification
SMILES
NC1=N[C@H](O)[C@H]2[C@H]3C[C@]4(O)OC(C5O[C@H]4[C@@]25N1)[C@]31COCCO1
InChIKey
InChIKey=RWKKBYWZPJQVCH-OFVCENSFSA-N
Formula
C14H19N3O6
Mass
325.321
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
1,4-dioxanes Oxanes Monosaccharides Hydropyrimidines Oxetanes Cyclic alcohols and derivatives Guanidines Hemiacetals Propargyl-type 1,3-dipolar organic compounds Alkanolamines Dialkyl ethers Oxacyclic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tetrodotoxin-skeleton - Para-dioxane - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Monosaccharide - Oxane - Cyclic alcohol - Guanidine - Hemiacetal - Oxetane - Alkanolamine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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