Compound Identification
SMILES
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=CC21OC(=O)C(=C1)[C@H](C)OC=O
InChIKey
InChIKey=LKYKOVPHBXOVIF-MXFCADRVSA-N
Formula
C22H26O13
Mass
498.437
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Terpene glycosides
- Level 5 Iridoid O-glycosides
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Subclass
Terpene glycosides
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene glycosides
Intermediate Tree Nodes
Not available
Direct Parent
Iridoid O-glycosides
Alternative Parents
Terpene lactones Hexoses O-glycosyl compounds Bicyclic monoterpenoids Iridoids and derivatives Tricarboxylic acids and derivatives Butenolides Oxanes Enoate esters Vinylogous esters Methyl esters Secondary alcohols Lactones Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Organic oxides Carbonyl compounds Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Iridoid o-glycoside - Terpene lactone - Hexose monosaccharide - Glycosyl compound - Iridoid-skeleton - O-glycosyl compound - Bicyclic monoterpenoid - Monoterpenoid - Tricarboxylic acid or derivatives - 2-furanone - Monosaccharide - Oxane - Dihydrofuran - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Lactone - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Polyol - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxide - Primary alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as iridoid o-glycosides. These are iridoid monoterpenes containing a glycosyl (usually a pyranosyl) moiety linked to the iridoid skeleton.
External Descriptors
Not available