Compound Identification
SMILES
NC(C(O)C1(O)C2OC3(O)OC1C1C(O)N=C(N)NC1(C2O)C3O)C(O)=O
InChIKey
InChIKey=USXKBURXVCBLKJ-UHFFFAOYSA-N
Formula
C13H20N4O10
Mass
392.321
Taxonomic Classification
Taxonomy Tree
-
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
Alpha amino acids Carbocyclic fatty acids Sugar acids and derivatives Aminosaccharides Beta hydroxy acids and derivatives Hydroxy fatty acids 1,3-dioxanes Hydropyrimidines Oxanes Monosaccharides Tertiary alcohols 1,3-aminoalcohols Amino acids Orthocarboxylic acid derivatives Secondary alcohols Cyclic alcohols and derivatives Guanidines Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Polyols Carboxylic acids Carboximidamides Monoalkylamines Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tetrodotoxin-skeleton - Alpha-amino acid - Alpha-amino acid or derivatives - Carbocyclic fatty acid - Beta-hydroxy acid - Sugar acid - Amino saccharide - Hydroxy fatty acid - Oxane - Meta-dioxane - Hydropyrimidine - Fatty acyl - Hydroxy acid - Monosaccharide - 1,4,5,6-tetrahydropyrimidine - Cyclic alcohol - 1,3-aminoalcohol - Tertiary alcohol - Guanidine - Amino acid - Secondary alcohol - Orthocarboxylic acid derivative - Amino acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Azacycle - Carboximidamide - Carboxylic acid - Alkanolamine - Oxacycle - Polyol - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - 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