Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.NC1=N[C@H](O)[C@H]2[C@@H]3O[C@@]4(O)O[C@H]([C@H](O)C2(N1)[C@@H]4O)[C@]3(O)CO
InChIKey
InChIKey=YUJWMDOXROTQCW-MTFCVJKDSA-N
Formula
C17H25N3O15
Mass
511.393
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
Tricarboxylic acids and derivatives Oxanes Monosaccharides Hydropyrimidines 1,3-dioxanes Tertiary alcohols Secondary alcohols Orthocarboxylic acid derivatives Guanidines Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Carboximidamides Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Tetrodotoxin-skeleton - Tricarboxylic acid or derivatives - Oxane - Monosaccharide - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Meta-dioxane - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Orthocarboxylic acid derivative - Guanidine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Polyol - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - 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