Compound Identification
SMILES
CCCC(=O)O[C@H]1C[C@](C)(OCC)[C@H]2C[C@@H](OC(=O)C(\C)=C/C)[C@H](C)[C@H]2[C@@H]2OC(=O)[C@@](C)(O)[C@@]12O
InChIKey
InChIKey=QZUAOFNFNALOAC-KQTWZZSISA-N
Formula
C26H40O9
Mass
496.597
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
-
Subclass
Terpene lactones
-
Level 5
Sesquiterpene lactones
- Level 6 Guaianolides 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
Guaianolides and derivatives
Alternative Parents
Guaianes Tricarboxylic acids and derivatives Fatty acid esters Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Enoate esters Cyclic alcohols and derivatives 1,2-diols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - Tricarboxylic acid or derivatives - Fatty acid ester - Gamma butyrolactone - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Tetrahydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - 1,2-diol - Carboxylic acid ester - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.
External Descriptors
Not available