Compound Identification
SMILES
OC[C@H]1O[C@@H](SC(CC2=CNC3=CC=CC=C23)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=DNDNWOWHUWNBCK-JZYAIQKZSA-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 Oxanes Benzenoids Organic sulfuric acids and derivatives Heteroaromatic compounds Monothioacetals Secondary alcohols Sulfenyl compounds Polyols Oxacyclic compounds Azacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkylglucosinolate - Glycosyl compound - S-glycosyl compound - 3-alkylindole - Indole - Indole or derivatives - Oxane - Substituted pyrrole - Benzenoid - Monothioacetal - Organic sulfuric acid or derivatives - Heteroaromatic compound - Pyrrole - Secondary alcohol - Azacycle - Oxacycle - Organoheterocyclic compound - Polyol - Sulfenyl compound - Alcohol - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Primary alcohol - Organic oxide - Hydrocarbon derivative - 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
CHEBI:64962 : indolylmethylglucosinolate