Compound Identification
SMILES
COC(=O)C1=CO[C@@H](O[C@@H]2OC(COC(=O)C3CC3)[C@@H](O)C(O)C2O)[C@@H]2C(CO)=CC[C@]12O
InChIKey
InChIKey=UFHWQKPLIVGBPD-RCMNPNCLSA-N
Formula
C21H28O12
Mass
472.443
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
Saccharolipids O-glycosyl compounds Bicyclic monoterpenoids Iridoids and derivatives Cyclopropanecarboxylic acids and derivatives Dicarboxylic acids and derivatives Monosaccharides Oxanes Vinylogous esters Tertiary alcohols Enoate esters Methyl esters Secondary alcohols Acetals Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Iridoid o-glycoside - Saccharolipid - Glycosyl compound - Iridoid-skeleton - O-glycosyl compound - Bicyclic monoterpenoid - Monoterpenoid - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Tertiary alcohol - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Secondary alcohol - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Primary alcohol - Alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - 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