Compound Identification
SMILES
NC1=[NH+]C2OC3C4(N1)C2C1OC3([O-])OC(C4O)C1(O)CO
InChIKey
InChIKey=JZJQHUBGLNDUTM-UHFFFAOYSA-O
Formula
C11H15N3O7
Mass
301.255
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
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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 Oxanes Hydropyrimidines Monosaccharides Tetrahydrofurans Tertiary alcohols Furans Secondary alcohols Guanidines Cyclic alcohols and derivatives Orthocarboxylic acid derivatives Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Alkoxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tetrodotoxin-skeleton - Furopyran - 1,4-dioxepane - Dioxepane - Meta-dioxane - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Monosaccharide - Oxane - Pyran - Cyclic alcohol - Furan - Tertiary alcohol - Tetrahydrofuran - Guanidine - Orthocarboxylic acid derivative - Secondary alcohol - Carboximidamide - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Primary alcohol - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkoxide - 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