Compound Identification
SMILES
CO[C@@H]1OC[C@]23[C@H]1C(C)(C)CC[C@@H]2OC(=O)C12C[C@H](C[C@H](O)[C@@H]31)C(=C)C2=O
InChIKey
InChIKey=ANNDQWYMQQILCQ-OAFDGUKCSA-N
Formula
C21H28O6
Mass
376.449
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Kaurane diterpenoids Fatty alcohol esters Iridoids and derivatives Fatty acid esters Delta valerolactones Beta-keto acids and derivatives Oxanes Alpha-branched alpha,beta-unsaturated ketones Tetrahydrofurans Enones Acryloyl compounds Secondary alcohols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Kaurane diterpenoid - Diterpenoid - Diterpene lactone - Fatty alcohol ester - Secoiridoid-skeleton - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Beta-keto acid - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Oxane - Keto acid - Alpha,beta-unsaturated ketone - Tetrahydrofuran - Enone - Cyclic alcohol - Acryloyl-group - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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