Compound Identification
SMILES
CC(C)(C)OC(=O)NC(NC(=O)OC(C)(C)C)=NC[C@H]1[C@@H]2N=C(NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)[C@@]22[C@@H](O)CCN2\C(=N/C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C
InChIKey
InChIKey=AZJAVZOINOCHIT-SKFPTKKGSA-N
Formula
C40H67N9O13
Mass
882.026
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 Imidazolines Carbamate esters Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Alkaloid or derivatives - 1,3-diazinane - 2-imidazoline - Pyrrolidine - Carbamic acid ester - Guanidine - Secondary alcohol - Carboximidamide - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Imine - Alcohol - Organic oxygen 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