Compound Identification
SMILES
[H]OC(=O)C([H])(O[H])C([H])(O[H])C(=O)O[H].[H]OC([H])([H])C([H])(C(=O)OC1([H])C([H])([H])[C@@]2([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C2([H])[H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
InChIKey
InChIKey=RJUSBNDYSCEUJC-ZZJGABIISA-N
Formula
C21H29NO9
Mass
439.461
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Tropane alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Tropane alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tropane alkaloids
Alternative Parents
Sugar acids and derivatives Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Piperidines N-alkylpyrrolidines Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Benzene and substituted derivatives Alpha hydroxy acids and derivatives Trialkylamines Secondary alcohols Carboxylic acid esters Amino acids and derivatives Carboxylic acids Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Tropane alkaloid - Sugar acid - Short-chain hydroxy acid - Beta-hydroxy acid - Fatty acid - Benzenoid - N-alkylpyrrolidine - Piperidine - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Alpha-hydroxy acid - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane.
External Descriptors
Not available