Compound Identification
SMILES
CC1CCC23CCC(=O)C2[C@@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](C)[C@@H]3C)OC(=O)CSC1=CC=CC(=C1)C(O)=O
InChIKey
InChIKey=LXYHRRNWZISBDZ-JVHHZGLSSA-N
Formula
C30H40O5S
Mass
512.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Diterpenoids
- Level 5 Mutilane diterpenoids
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Subclass
Diterpenoids
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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
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Mutilane diterpenoids
Alternative Parents
M-sulfanylbenzoic acids Benzoic acids Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Ketones Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Mutilane diterpenoid - M-sulfanylbenzoic acid - M-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Ketone - Sulfenyl compound - Carboxylic acid derivative - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as mutilane diterpenoids. These are diterpenoids with a structure based on the mutilane skeleton.
External Descriptors
Not available