Compound Identification
SMILES
OC[C@H]1O[C@@H](S\C(CCCCOC(=O)C2=CC=CC=C2)=N\OS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=IEVWTBIZULGLHA-XKYBNXMZSA-N
Formula
C18H25NO11S2
Mass
495.51
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 Benzoic acid esters Benzoyl derivatives Oxanes Organic sulfuric acids and derivatives Monothioacetals Secondary alcohols Carboxylic acid esters 1,2-diols Sulfenyl compounds Oxacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkylglucosinolate - S-glycosyl compound - Glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Oxane - Monothioacetal - Organic sulfuric acid or derivatives - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Polyol - Alcohol - Organic nitrogen compound - Organic oxide - Primary alcohol - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - 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