Compound Identification
SMILES
OCC1(O)C2OC3([O-])OC1C(O)C14NC(=[NH2+])NC(O[C@@H]31)C24
InChIKey
InChIKey=JZJQHUBGLNDUTM-LFXQUIPNSA-O
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 1,3-dioxanes Pyrans Oxanes Diazinanes Monosaccharides Tetrahydrofurans Tertiary alcohols Furans Secondary alcohols Cyclic alcohols and derivatives Orthocarboxylic acid derivatives Guanidines Oxacyclic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Alkoxides Primary alcohols Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tetrodotoxin-skeleton - Furopyran - 1,4-dioxepane - Dioxepane - Meta-dioxane - 1,3-diazinane - Monosaccharide - Oxane - Pyran - Cyclic alcohol - Furan - Tetrahydrofuran - Tertiary alcohol - Orthocarboxylic acid derivative - Secondary alcohol - Guanidine - Carboximidamide - Azacycle - Oxacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alkoxide - Organic zwitterion - 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