Compound Identification
SMILES
OCC1(O)CC2C(O)NC(=N)NC22C(O)C1OC(=O)C2O
InChIKey
InChIKey=MUWJNPOMZLQMND-UHFFFAOYSA-N
Formula
C11H17N3O7
Mass
303.271
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
-
Level 5
Quinazolines
- Level 6 Tetrodotoxins
-
Level 5
Quinazolines
-
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 amino acids and derivatives Delta valerolactones Oxanes Diazinanes Tertiary alcohols Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Guanidines Alkanolamines Azacyclic compounds Carboximidamides Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Imines
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tetrodotoxin-skeleton - Delta amino acid or derivatives - Delta valerolactone - Delta_valerolactone - 1,3-diazinane - Oxane - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Guanidine - Lactone - Secondary alcohol - Alkanolamine - Carboxylic acid derivative - Oxacycle - Azacycle - Carboximidamide - Monocarboxylic acid or derivatives - Polyol - Imine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxide - 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