Compound Identification
SMILES
OCC1NC(=N)N2CCC(O)(O)C22NC(=N)NC12
InChIKey
InChIKey=VRRIYZJUSNMZMP-UHFFFAOYSA-N
Formula
C9H16N6O3
Mass
256.266
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Saxitoxins, gonyautoxins, and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Saxitoxins, gonyautoxins, and derivatives
Alternative Parents
Imidazopyrimidines Alkaloids and derivatives Diazinanes Pyrrolidines Imidazolidines Guanidines Carboximidamides Carbonyl hydrates Azacyclic compounds Primary alcohols Organopnictogen compounds Imines Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Alkaloid or derivatives - 1,3-diazinane - Imidazolidine - Pyrrolidine - Guanidine - Organoheterocyclic compound - Carboximidamide - Carbonyl hydrate - Azacycle - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Imine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. These are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton.
External Descriptors
Not available