Compound Identification
SMILES
C[C@@H]1CCOC2(O[C@]34O[C@H]2CC3OC(=O)[C@H](C)[C@@H]2CCC[C@@]3(CCC(O3)[C@H](O)[C@@]3(C)CC(=O)C(O3)[C@H]3CC5(C)CCC(O5)(O3)[C@H]3CCC(C)(C[C@@H](C)\C=C(/C)\C=C\4)O3)O2)[C@@H]1O
InChIKey
InChIKey=NQTHLRRARBQTJZ-SSTPSBCLSA-N
Formula
C47H68O14
Mass
857.047
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
Oxepanes Ketals Oxanes 1,3-dioxanes Monosaccharides Furanones Oxolanes 1,3-dioxolanes Secondary alcohols Carboxylic acid esters Lactones Ketones Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pectenotoxin fragment - Ketal - Oxepane - Meta-dioxane - 3-furanone - Oxane - Monosaccharide - Meta-dioxolane - Oxolane - Carboxylic acid ester - Ketone - Secondary alcohol - Lactone - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aldehyde - Organooxygen compound - Carbonyl group - 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