Compound Identification
SMILES
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](OC2=C(C)C3=C(C=C2)C(=O)\C(=C(/C)NOCCSC2=NC=CN2)C(=O)O3)OC1(C)C
InChIKey
InChIKey=MHCGIPCAXSDRJX-ACVWWXCGSA-N
Formula
C25H31N3O9S
Mass
549.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
- Subclass Coumarin glycosides
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Coumarin glycosides
Intermediate Tree Nodes
Not available
Direct Parent
Coumarin glycosides
Alternative Parents
Fatty acyl glycosides of mono- and disaccharides Phenolic glycosides Hexoses Alkyl glycosides Chromones O-glycosyl compounds 3,4-dihydrocoumarins Aryl ketones Alkylarylthioethers Benzenoids Oxanes Vinylogous amides Imidazoles Enoate esters Heteroaromatic compounds Lactones 1,2-diols Secondary alcohols Sulfenyl compounds Oxacyclic compounds Acetals N-organohydroxylamines Dialkyl ethers Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin-7-o-glycoside - Coumarin o-glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - Alkyl glycoside - Hexose monosaccharide - 3,4-dihydrocoumarin - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - Chromane - 1-benzopyran - Aryl thioether - Aryl ketone - Alkylarylthioether - Monosaccharide - Fatty acyl - Oxane - Benzenoid - Vinylogous amide - Imidazole - Heteroaromatic compound - Azole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Lactone - Ketone - Organoheterocyclic compound - Oxacycle - Azacycle - N-organohydroxylamine - Sulfenyl compound - Thioether - Carboxylic acid derivative - Dialkyl ether - Ether - Acetal - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.
External Descriptors
Not available