Compound Identification
SMILES
COC1=CC=CC2=C1C=C(C\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N\OS([O-])(=O)=O)N2
InChIKey
InChIKey=MBJQLLNWPGGFDP-QEERMAAGSA-M
Formula
C17H21N2O10S2
Mass
477.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Monosaccharides
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Level 6
Hexoses
-
Level 7
Glucosinolates
- Level 8 Alkylglucosinolates
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Level 7
Glucosinolates
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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 - Glucosinolates
Direct Parent
Alkylglucosinolates
Alternative Parents
Thioglycosides Indoles Anisoles Alkyl aryl ethers Substituted pyrroles Oxanes Heteroaromatic compounds Monothioacetals Organic sulfuric acids and derivatives 1,2-diols Secondary alcohols Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organic oxides Primary alcohols Hydrocarbon derivatives Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkylglucosinolate - S-glycosyl compound - Glycosyl compound - Indole - Indole or derivatives - Phenol ether - Anisole - Alkyl aryl ether - Oxane - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Organic sulfuric acid or derivatives - Monothioacetal - Pyrrole - 1,2-diol - Secondary alcohol - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Polyol - Hydrocarbon derivative - Organic oxide - Alcohol - Organonitrogen compound - Organosulfur compound - Primary alcohol - Organic nitrogen compound - 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
Not available