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(CC[C@@](O6)(O5)[C@H]5CC[C@](C)(C[C@@H](C)\C=C(/C)\C=C\[C@H]3O2)O5)C(=O)OCC(=O)C2=CC=CC=C2)O4)[C@@H]1O
InChIKey
InChIKey=BECPTZLQOOKGAM-WBESJHEVSA-N
Formula
C55H74O17
Mass
1007.18
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
Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Oxepanes Alpha-acyloxy ketones Ketals 1,3-dioxanes Oxanes Dicarboxylic acids and derivatives Furanones Oxolanes Secondary alcohols Lactones Carboxylic acid esters Hemiacetals Oxacyclic compounds Dialkyl ethers Aldehydes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pectenotoxin fragment - Alkyl-phenylketone - Phenylketone - Aryl ketone - Aryl alkyl ketone - Benzoyl - Alpha-acyloxy ketone - Oxepane - Ketal - Dicarboxylic acid or derivatives - Benzenoid - Meta-dioxane - Oxane - 3-furanone - Monocyclic benzene moiety - Oxolane - Carboxylic acid ester - Ketone - Hemiacetal - Secondary alcohol - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Organoheterocyclic compound - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aldehyde - Organic oxide - Organooxygen compound - Aromatic 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