Compound Identification
SMILES
COC(=O)[C@@]12O[C@@]11C[C@H](C(C)=C)C(=O)CC3=C[C@@H](OC3=O)C(C(C)=C)[C@]3(O[C@H]23)O1
InChIKey
InChIKey=PSYQSQQXBGQVSV-HASAIJBCSA-N
Formula
C21H22O8
Mass
402.399
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
Ileabethane, pseudopterane or nor-sandresane diterpenoids Oxirane carboxylic acids Monosaccharides Dicarboxylic acids and derivatives Butenolides 1,3-dioxanes Oxolanes Methyl esters Enoate esters Lactones Cyclic ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pseudopterane diterpenoid - Diterpene lactone - Diterpenoid - Ileabethane, pseudopterane or nor-sandresane diterpenoid - Meta-dioxane - 2-furanone - Dicarboxylic acid or derivatives - Monosaccharide - Oxirane carboxylic acid - Oxirane carboxylic acid or derivatives - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Methyl ester - Lactone - Ketone - Carboxylic acid ester - Cyclic ketone - Oxirane - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Aliphatic 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