Compound Identification
SMILES
NC1=NC2OC3C4(N1)C2C1OC3(O)OC(C4O)C1(O)CO
InChIKey
InChIKey=STNXQECXKDMLJK-UHFFFAOYSA-N
Formula
C11H15N3O7
Mass
301.255
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
Furopyrans 1,4-dioxepanes Pyrans 1,3-dioxanes Hydropyrimidines Oxanes Monosaccharides Tetrahydrofurans Tertiary alcohols Furans Cyclic alcohols and derivatives Secondary alcohols Guanidines Orthocarboxylic acid derivatives Carboximidamides Azacyclic compounds Polyols Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organopnictogen compounds Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tetrodotoxin-skeleton - Furopyran - 1,4-dioxepane - Dioxepane - Meta-dioxane - Oxane - Monosaccharide - Pyran - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Cyclic alcohol - Furan - Tertiary alcohol - Tetrahydrofuran - Secondary alcohol - Orthocarboxylic acid derivative - Guanidine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Polyol - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Primary alcohol - Organonitrogen compound - Organooxygen 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