Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCCCNC(=O)OC[C@@H]1N=C(N)N2CCC(O)(O)[C@@]22N=C(N)N[C@@H]12

InChIKey

InChIKey=XBJNVLHDNJJPNP-QXWQCHRPSA-N

Formula

C22H33F9N8O10

Mass

740.538

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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

Not available

Substituents

Saxitoxin-gonyautoxin skeleton - Alkaloid or derivatives - Imidazopyrimidine - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - 2-imidazoline - Pyrrolidine - Carbamic acid ester - Guanidine - Carbonyl hydrate - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Primary aliphatic amine - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Alkyl fluoride - 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

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