Compound Identification
SMILES
CC1CCOC(O)([C@@H]2C[C@H]3OC(=O)C(C)[C@@H]4CCC[C@@]5(CCC(O5)C(O)C5(C)CC(=O)C(O5)[C@H]5CC6(C)CCC(O6)(O5)[C@H]5CCC(C)(CC(C)\C=C(/C)\C=C\C3(O)O2)O5)O4)C1O
InChIKey
InChIKey=MUFHMCJNYOBKBL-BJSIPBCXSA-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
-
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
Oxepanes Ketals 1,3-dioxanes Oxanes Furanones Oxolanes Secondary alcohols Carboxylic acid esters Hemiacetals Ketones Lactones Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Aldehydes Hydrocarbon derivatives Organic oxides
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 - Aldehyde - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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