Compound Identification
SMILES
OC[C@H]1O[C@@H](S\C(CC2=CNC3=CC=CC=C23)=N/OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=DNDNWOWHUWNBCK-PIAXYHQTSA-M
Formula
C16H19N2O9S2
Mass
447.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Monosaccharides
-
Level 6
Hexoses
-
Level 7
Glucosinolates
- Level 8 Alkylglucosinolates
-
Level 7
Glucosinolates
-
Level 6
Hexoses
-
Level 5
Monosaccharides
-
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
Monosaccharides - Hexoses - Glucosinolates
Direct Parent
Alkylglucosinolates
Alternative Parents
Thioglycosides 3-alkylindoles Substituted pyrroles Benzenoids Oxanes Heteroaromatic compounds Monothioacetals Organic sulfuric acids and derivatives 1,2-diols Secondary alcohols Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Primary alcohols Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkylglucosinolate - Glycosyl compound - S-glycosyl compound - 3-alkylindole - Indole - Indole or derivatives - Oxane - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Monothioacetal - Organic sulfuric acid or derivatives - Pyrrole - 1,2-diol - Secondary alcohol - Polyol - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Primary alcohol - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain.
External Descriptors
Not available