Compound Identification
SMILES
COC1=CC(\C=C\C(=O)OCC[N+](C)(C)C)=CC(OC)=C1O.OC[C@H]1O[C@@H](S\C(CC2=CC=C(O)C=C2)=N\OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=NUXXPTJGCLKPIG-LUGJKSKQSA-N
Formula
C30H42N2O15S2
Mass
734.79
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 Acyl cholines Anisoles Styrenes Phenoxy compounds Alkyl aryl ethers Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Oxanes Organic sulfuric acids and derivatives Tetraalkylammonium salts Monothioacetals Enoate esters Secondary alcohols 1,2-diols Monocarboxylic acids and derivatives Oxacyclic compounds Sulfenyl compounds Organic oxides Carbonyl compounds Amines Hydrocarbon derivatives Primary alcohols Organic cations
Molecular Framework
Not available
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 - Acyl choline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Choline - Fatty acid ester - Phenol - Benzenoid - Monocyclic benzene moiety - Oxane - Fatty acyl - Enoate ester - Quaternary ammonium salt - Alpha,beta-unsaturated carboxylic ester - Tetraalkylammonium salt - Monothioacetal - Organic sulfuric acid or derivatives - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Monocarboxylic acid or derivatives - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Sulfenyl compound - Oxacycle - Organosulfur compound - Carbonyl group - Amine - Alcohol - Organic oxide - Primary alcohol - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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