Compound Identification
SMILES
COC1[C@@H]2O[Co][C@@H](CC(O)=O)[C@@H]3[C@H](O)C(=O)Oc4c(O)c(O)cc([Co]OC1[C@H](O[Co]c1cc(O)c(O)c(O)c1)OC2C)c34
InChIKey
InChIKey=HFHWCZZLWGRIKO-UYBBAICZSA-N
Formula
C25H26Co3O15
Mass
743.268
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class 3,4-dihydrocoumarins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
3,4-dihydrocoumarins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
3,4-dihydrocoumarins
Alternative Parents
1-benzopyrans Pyrogallols and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Metal aryls Dicarboxylic acids and derivatives Benzene and substituted derivatives Secondary alcohols Lactones Carboxylic acid esters Polyols Oxacyclic compounds Organic transition metal salts Metalloheterocyclic compounds Dialkyl ethers Carboxylic acids Transition metal alkyls Organotransition metal compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4-dihydrocoumarin - 1-benzopyran - Benzopyran - Chromane - Pyrogallol derivative - Benzenetriol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Metal aryl - Benzenoid - Oxane - Monosaccharide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organic metal salt - Organic transition metal salt - Organoheterocyclic compound - Polyol - Metalloheterocycle - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Transition metal alkyl - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organometallic compound - Organic transition metal moeity - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.
External Descriptors
Not available