Compound Identification
SMILES
C[C@@H]1C(O)[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)C33OC3C[C@]2(C)C1(CC(O)=O)C(=O)C(O)CC(O)=O
InChIKey
InChIKey=JADHVCGUDKMEKY-YOVRYQFUSA-N
Formula
C26H31FO9
Mass
506.523
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
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Subclass
Monoterpenoids
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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
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Iridoids and derivatives
Alternative Parents
Medium-chain keto acids and derivatives Gamma-keto acids and derivatives Oxepanes Hydroxy fatty acids Heterocyclic fatty acids Halogenated fatty acids Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Acyloins Alpha-hydroxy ketones Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
11-noriridane monoterpenoid - Medium-chain keto acid - Gamma-keto acid - Oxepane - Hydroxy fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - Beta-hydroxy acid - Fatty acyl - Keto acid - Hydroxy acid - Dicarboxylic acid or derivatives - Acyloin - Cyclic alcohol - Alpha-hydroxy ketone - Cyclic ketone - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.
External Descriptors
Not available