Compound Identification
SMILES
C[C@H]1C[C@@H]2[C@@]3(O)[C@H]1OC(=O)C=CC=C[C@H](OC(=O)c1ccccc1)C1CCC(CC1)C[C@@](C)(O)[C@]1(O)[C@H]4O[C@]5(O[C@@H]1[C@H]([C@@H]1O[C@]1(CO)[C@H]3O)[C@]2(O5)[C@@H]4C)c1ccccc1
InChIKey
InChIKey=VAEBJJRRTFBWLJ-SDCJAHIVSA-N
Formula
C46H54O13
Mass
814.925
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene lactones
- Level 5 Diterpene lactones
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Subclass
Terpene lactones
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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
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Diterpene lactones
Alternative Parents
Rhamnofolane and daphnane diterpenoids Fatty alcohol esters Benzoic acid esters Fatty alcohols Benzoyl derivatives Ortho esters Fatty acid esters Dicarboxylic acids and derivatives 1,3-dioxanes Tertiary alcohols Enoate esters Secondary alcohols Lactones Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diterpenoid - Daphnane diterpenoid - Diterpene lactone - Fatty alcohol ester - Benzoate ester - Fatty alcohol - Benzoic acid or derivatives - Benzoyl - Ortho ester - Fatty acid ester - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Meta-dioxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
External Descriptors
Not available