Structure Information
Structure

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](C)CC[C@H]12

InChIKey

InChIKey=KMHXLGLJTQHEIM-OUEWTLASSA-N

Formula

C17H26O9

Mass

374.386

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Iridoid o-glycoside - Hexose monosaccharide - Glycosyl compound - Iridoid-skeleton - O-glycosyl compound - Bicyclic monoterpenoid - Monoterpenoid - Monosaccharide - Oxane - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Secondary alcohol - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Polyol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Primary alcohol - 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

CHEBI:18370 : beta-D-glucoside - methyl ester - alpha,beta-unsaturated carboxylic ester
LIPIDMAPS (LMPR0102070005) : Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
KEGG (C06071) : Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids - Iridoids

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