Compound Identification
SMILES
CC1(O)C=CCC2C(C)(C=CC3=CC(=O)OC3)C(C)(O)C(OC(=O)C3=CC=CC=C3)C(OC(=O)C3=CN=CC=C3)C12C
InChIKey
InChIKey=XOXFENMJJYQPJP-UHFFFAOYSA-N
Formula
C33H35NO8
Mass
573.642
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
Colensane and clerodane diterpenoids Benzoic acid esters Tricarboxylic acids and derivatives Pyridinecarboxylic acids Benzoyl derivatives Butenolides Cyclitols and derivatives Tertiary alcohols Heteroaromatic compounds Enoate esters Lactones Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diterpenoid - Diterpene lactone - Clerodane diterpenoid - Benzoate ester - Benzoic acid or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Cyclitol or derivatives - Monocyclic benzene moiety - 2-furanone - Benzenoid - Pyridine - Heteroaromatic compound - Dihydrofuran - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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