Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(=O)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=ALAGETHEZXITEJ-MPNMATMESA-N

Formula

C37H56N8O13S

Mass

852.96

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Saxitoxin-gonyautoxin skeleton - Benzenesulfonamide - Benzenesulfonyl group - Alkaloid or derivatives - Imidazopyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Sulfonylurea - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - 2-imidazoline - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Aminosulfonyl compound - Secondary alcohol - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic 1,3-dipolar compound - Azacycle - Ether - Organoheterocyclic compound - Carbonyl group - Alcohol - Imine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic 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

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