Compound Identification
SMILES
O[C@@H]1C[C@H]2[C@@H](C[C@@]3(O)CO[C@@H](O1)C23)OC(=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=ZGEFAWWFLHUTII-CXMSOTGLSA-N
Formula
C16H18O7
Mass
322.313
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
p-Hydroxybenzoic acid alkyl esters Aromatic monoterpenoids Furopyrans Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Pyrans Oxanes Tetrahydrofurans Tertiary alcohols Furans Hemiacetals Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Iridoid-skeleton - Benzoate ester - Aromatic monoterpenoid - Furopyran - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Tetrahydrofuran - Tertiary alcohol - Furan - Cyclic alcohol - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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