Compound Identification
SMILES
COC(=O)C1=C\[C@H]2O[C@H]2\C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)[C@@]2(C)O[C@H]2C)[C@H]\1O
InChIKey
InChIKey=ZFFQDPLDTMMAKO-LAMFBQHXSA-N
Formula
C21H24O9
Mass
420.414
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene lactones
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Level 5
Sesquiterpene lactones
- Level 6 Germacranolides and derivatives
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Level 5
Sesquiterpene lactones
-
Subclass
Terpene lactones
-
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
Sesquiterpene lactones
Direct Parent
Germacranolides and derivatives
Alternative Parents
Sesquiterpenoids Tricarboxylic acids and derivatives Beta hydroxy acids and derivatives Oxirane carboxylic acids Gamma butyrolactones Oxolanes Methyl esters Enoate esters Secondary alcohols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Germacranolide - Sesquiterpenoid - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Gamma butyrolactone - Hydroxy acid - Oxirane carboxylic acid - Oxirane carboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Oxolane - Enoate ester - Methyl ester - Lactone - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety.
External Descriptors
Not available