Compound Identification
SMILES
OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O.CCO\N=C(/C1CCN(CC1)C1(C)CCN(CC1)C(=O)C1=C(C)C=C[N+]([O-])=C1C)C1=CC=C(Br)C=C1
InChIKey
InChIKey=NWRTXWYSVNQYJJ-GIHSBRLXSA-N
Formula
C35H51BrN4O11
Mass
783.714
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Sugar acids and derivatives
Alternative Parents
Heptoses Medium-chain hydroxy acids and derivatives N-acylpiperidines Pyridinecarboxylic acids and derivatives Medium-chain fatty acids Hydroxy fatty acids Methylpyridines Bromobenzenes Beta hydroxy acids and derivatives Aminopiperidines Aryl bromides Alpha hydroxy acids and derivatives Pyridinium derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Secondary alcohols Amino acids and derivatives Polyols Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Primary alcohols Carbonyl compounds Organobromides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Heptose monosaccharide - N-acyl-piperidine - Medium-chain hydroxy acid - Pyridine carboxylic acid or derivatives - Medium-chain fatty acid - 4-aminopiperidine - Methylpyridine - Hydroxy fatty acid - Sugar acid - Halobenzene - Beta-hydroxy acid - Bromobenzene - Alpha-hydroxy acid - Monosaccharide - Piperidine - Benzenoid - Monocyclic benzene moiety - Fatty acid - Fatty acyl - Hydroxy acid - Pyridinium - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Monocarboxylic acid or derivatives - Polyol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organic salt - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organobromide - Amine - Alcohol - Organic oxide - Primary alcohol - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
External Descriptors
Not available