Compound Identification
SMILES
CCCCO[C@@H]1C=C(CO)[C@@H]2[C@H]1C(=CO[C@H]2OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)OC
InChIKey
InChIKey=AVVMCQQTDTWJCI-AVTOBRDMSA-N
Formula
C21H32O11
Mass
460.476
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
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
Bicyclic monoterpenoids Monosaccharides Oxanes Vinylogous esters Enoate esters Methyl esters Secondary alcohols Hemiacetals Monocarboxylic acids and derivatives Acetals Dialkyl ethers Oxacyclic compounds Polyols Organic oxides Carbonyl compounds Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Iridoid-skeleton - Bicyclic monoterpenoid - Monosaccharide - Oxane - Methyl ester - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Hemiacetal - Secondary alcohol - Polyol - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Primary alcohol - Aliphatic 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