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)(OC(=O)C4=COC=C4)C(=O)O[C@@H]([C@H](OC(=O)C4=CC=CC=C4)[C@@H]2OC(C)=O)[C@]1(C)O)N=CC=C3

InChIKey

InChIKey=RUOCMZOULQONMB-CSQIADDDSA-N

Formula

C48H51NO21

Mass

977.922

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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 - Agarofuran - Sesquiterpenoid - Benzoate ester - Furoic acid ester - Benzoic acid or derivatives - Pyridine carboxylic acid - Furoic acid or derivatives - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Benzoyl - Oxepane - Monocyclic benzene moiety - Pyridine - Monosaccharide - Benzenoid - Tertiary alcohol - Tetrahydrofuran - Furan - Cyclic alcohol - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Oxacycle - Carboxylic acid derivative - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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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