Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]11O[C@@]3(C)COC(=O)C3=C(CCC(C)(O)C(=O)O[C@@H]([C@H](OC(=O)C4=CC=CC=C4)[C@@H]2OC(C)=O)C1(C)O)N=CC=C3

InChIKey

InChIKey=XQDBHSNYTFRCNJ-MKWYQILGSA-N

Formula

C43H49NO19

Mass

883.853

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Not available

Direct Parent

Terpene lactones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Terpene lactone - Farsesane sesquiterpenoid - Sesquiterpenoid - Elemane sesquiterpenoid - Agarofuran - Benzoate ester - Pyridine carboxylic acid - Benzoic acid or derivatives - Polyhalopyridine - Benzoyl - 2-halopyridine - Methylpyridine - Hydroxypyridine - Oxepane - Fatty acid ester - Fatty acyl - Benzenoid - Pyridine - Monosaccharide - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Tertiary alcohol - Cyclic alcohol - Lactone - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

External Descriptors

Not available

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