Compound Identification
SMILES
C[C@@H]1CCO[C@](O)([C@@H]2C[C@H]3OC(=O)[C@H](C)[C@@H]4CCC[C@@]5(CC[C@H](O5)[C@H](O)[C@@]5(C)CC(=O)[C@@H](O5)[C@H]5C[C@]6(CO)CC[C@@](O6)(O5)[C@H]5CC[C@](C)(C[C@@H](C)\C=C(/C)\C=C\[C@H]3O2)O5)O4)[C@@H]1O
InChIKey
InChIKey=KJWMGLBVDNMNQW-YZLNPBDHSA-N
Formula
C47H70O15
Mass
875.062
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Macrolides and analogues
- Subclass Pectenotoxins and derivatives
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Class
Macrolides and analogues
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolides and analogues
Subclass
Pectenotoxins and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pectenotoxins and derivatives
Alternative Parents
Ketals Oxepanes 1,3-dioxanes Furanones Oxanes Oxolanes Lactones Ketones Secondary alcohols Hemiacetals Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pectenotoxin fragment - Ketal - Oxepane - Meta-dioxane - 3-furanone - Oxane - Oxolane - Carboxylic acid ester - Hemiacetal - Ketone - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Acetal - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Aldehyde - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pectenotoxins and derivatives. These are a group of poly-ether-lactone toxins.
External Descriptors
Not available