Compound Identification
SMILES
CC1(C)C2CC1C(CN(CC(O)CO)CC1(O)CCC3C1(C)CCC1C4(C)CCC(O)CC44C=CC31C(=C4)C(=O)C1=CC=C(O1)C1=C(Cl)C=CC(=C1)C(F)(F)F)CC2
InChIKey
InChIKey=RQVLTZCWMYSBSJ-UHFFFAOYSA-N
Formula
C47H59ClF3NO6
Mass
826.44
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
Monoterpenoids
- Level 5 Bicyclic monoterpenoids
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Subclass
Monoterpenoids
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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
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Bicyclic monoterpenoids
Alternative Parents
Trifluoromethylbenzenes Aromatic monoterpenoids Aryl ketones Chlorobenzenes Aryl chlorides Tertiary alcohols 1,3-aminoalcohols Heteroaromatic compounds Furans Trialkylamines Secondary alcohols 1,2-aminoalcohols Cyclic alcohols and derivatives Oxacyclic compounds Organic oxides Organochlorides Organofluorides Organopnictogen compounds Alkyl fluorides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aromatic monoterpenoid - Pinane monoterpenoid - Trifluoromethylbenzene - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary alcohol - 1,3-aminoalcohol - Cyclic alcohol - Furan - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Ketone - Oxacycle - Organoheterocyclic compound - Alkyl fluoride - Organic oxide - Organohalogen compound - Organochloride - Organopnictogen compound - Organic oxygen compound - Alcohol - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
External Descriptors
Not available