Compound Identification
SMILES
COC1=CC(\C=C\C(=O)OCCC\C(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=N/OS([O-])(=O)=O)=CC(OC)=C1O
InChIKey
InChIKey=ZXNGTIMPVQJBQY-GQCUBUKLSA-M
Formula
C21H28NO14S2
Mass
582.57
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
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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
Cinnamic acid esters Coumaric acids and derivatives Thioglycosides Dimethoxybenzenes Methoxyphenols Styrenes Anisoles Phenoxy compounds Alkyl aryl ethers Fatty acid esters Oxanes Enoate esters Organic sulfuric acids and derivatives Monothioacetals Secondary alcohols Monocarboxylic acids and derivatives Sulfenyl compounds Oxacyclic compounds Polyols Hydrocarbon derivatives Organonitrogen compounds Primary alcohols Carbonyl compounds Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkylglucosinolate - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Glycosyl compound - S-glycosyl compound - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Fatty acid ester - Phenol - Monocyclic benzene moiety - Benzenoid - Oxane - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Monothioacetal - Organic sulfuric acid or derivatives - Secondary alcohol - Carboxylic acid ester - Sulfenyl compound - Polyol - Carboxylic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Organosulfur compound - Carbonyl group - Primary alcohol - Organonitrogen 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