Compound Identification
SMILES
NC1=[NH+]C(O)C2CC(O)(CO)C3OC(=O)[C@@H](O)C2(N1)C3O
InChIKey
InChIKey=MUWJNPOMZLQMND-RRKGTUKXSA-O
Formula
C11H18N3O7
Mass
304.278
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
-
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
-
Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Tetrodotoxins
Alternative Parents
Delta valerolactones Hydropyrimidines Oxanes Tertiary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Secondary alcohols Guanidines Monocarboxylic acids and derivatives Carboximidamides Azacyclic compounds Alkanolamines Oxacyclic compounds Polyols Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tetrodotoxin-skeleton - Delta valerolactone - Delta_valerolactone - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Oxane - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Guanidine - Lactone - Secondary alcohol - Alkanolamine - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboximidamide - Polyol - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Organic cation - 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