Compound Identification
SMILES
OC[C@H]1O[C@@H](S\C(CC2=CNC3=CC=CC=C23)=N\O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=CWNIQCOMWQROPA-NMIPTCLMSA-N
Formula
C16H20N2O6S
Mass
368.4
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 Desulfoglucosinolates
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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
Direct Parent
Desulfoglucosinolates
Alternative Parents
Thioglycosides 3-alkylindoles Substituted pyrroles Oxanes Benzenoids Monothioacetals Heteroaromatic compounds Secondary alcohols 1,2-diols Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Desulfoglucosinolate - Glycosyl compound - S-glycosyl compound - 3-alkylindole - Indole - Indole or derivatives - Oxane - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Monothioacetal - Pyrrole - 1,2-diol - Secondary alcohol - Polyol - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Primary alcohol - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as desulfoglucosinolates. These are derivatives of glucosinolates which arise by removal of the sulfonate moiety.
External Descriptors
Not available