Compound Identification
SMILES
OCC1OC(SC(CC2=CC=C(O)C=C2)=NOS([O-])(=O)=O)C(O)C(O)C1O
InChIKey
InChIKey=WWBNBPSEKLOHJU-UHFFFAOYSA-M
Formula
C14H18NO10S2
Mass
424.42
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
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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 1-hydroxy-2-unsubstituted benzenoids Oxanes Benzene and substituted derivatives Organic sulfuric acids and derivatives Monothioacetals Secondary alcohols Sulfenyl compounds Polyols Oxacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkylglucosinolate - Glycosyl compound - S-glycosyl compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Oxane - Benzenoid - Monothioacetal - Organic sulfuric acid or derivatives - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Sulfenyl compound - Alcohol - Primary alcohol - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic anion - Aromatic heteromonocyclic 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