Compound Identification
SMILES
C[C@@]12OO[C@@H](O1)[C@@H]1C[C@H](C=O)[C@@H]([C@H]21)C(=O)CC1=CC=CC=C1
InChIKey
InChIKey=CFMBXCFHTFHSSJ-RZRDZNJRSA-N
Formula
C17H18O5
Mass
302.326
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
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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
Iridoids and derivatives
Alternative Parents
Aromatic monoterpenoids Trioxolanes Benzene and substituted derivatives 1,2-dioxanes Oxolanes Ketones Dialkyl peroxides Oxacyclic compounds Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aromatic monoterpenoid - 11-noriridane monoterpenoid - Ortho-dioxane - Monocyclic benzene moiety - 1,2,4-trioxolane - Benzenoid - Oxolane - Dialkyl peroxide - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aldehyde - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.
External Descriptors
Not available