Compound Identification
SMILES
[H][C@]12O[C@@]11[C@@]([H])([C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@]([H])(C[C@@]1(C)O)OC(C)=O)[C@@](C)(O)[C@]2([H])Cl
InChIKey
InChIKey=FCQNUSQUNQQROJ-JQYQDLBDSA-N
Formula
C17H21ClO7
Mass
372.8
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 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
Sesquiterpenoids Oxanes Dicarboxylic acids and derivatives Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Enoate esters Chlorohydrins Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Epoxides Carbonyl compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Sesquiterpenoid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Chlorohydrin - Halohydrin - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Oxirane - Alkyl halide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Alkyl chloride - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen compound - 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