Compound Identification
SMILES
COC1=CC=CC2=C1C(C\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N/OS(O)(=O)=O)=CN2
InChIKey
InChIKey=IIAGSABLXRZUSE-OXESJPRGSA-N
Formula
C17H22N2O10S2
Mass
478.49
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 3-alkylindoles Anisoles Alkyl aryl ethers Substituted pyrroles Oxanes Organic sulfuric acids and derivatives Monothioacetals Heteroaromatic compounds Secondary alcohols Sulfenyl compounds Polyols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkylglucosinolate - Glycosyl compound - S-glycosyl compound - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Oxane - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Monothioacetal - Organic sulfuric acid or derivatives - Secondary alcohol - Sulfenyl compound - Organoheterocyclic compound - Ether - Oxacycle - Polyol - Azacycle - Organic nitrogen compound - Primary alcohol - Organic oxide - Organonitrogen compound - Organosulfur compound - Alcohol - Hydrocarbon derivative - 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