Compound Identification
SMILES
COC(=O)CC1C(=O)CCC(C)C(=O)O[C@@H]2[C@@H]3[C@@H](OC(C)=O)[C@@]45O[C@@]3(C)COC(=O)C3=C(C=CN=C3)C(C)C(C)(O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(COC1=O)[C@@H]2OC(C)=O)[C@]5(C)O
InChIKey
InChIKey=GSBZVVMZYQMZBG-XMOOUNKUSA-N
Formula
C45H55NO22
Mass
961.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Terpene lactones
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
Agarofurans Macrolides and analogues Pyridinecarboxylic acids Oxepanes 1,3-dicarbonyl compounds Monosaccharides Tetrahydrofurans Tertiary alcohols Methyl esters Heteroaromatic compounds Cyclic alcohols and derivatives Cyclic ketones Lactones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organonitrogen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Terpene lactone - Agarofuran - Sesquiterpenoid - Macrolide - Pyridine carboxylic acid - Oxepane - Pyridine - 1,3-dicarbonyl compound - Monosaccharide - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - Heteroaromatic compound - Methyl ester - Ketone - Lactone - Carboxylic acid ester - Cyclic ketone - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Alcohol - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen 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
CHEBI:66277 : acetate ester - pyridines - methyl ester - macrocyclic lactone - sesquiterpene alkaloid - terpene lactone