Compound Identification
SMILES
OC[C@H]1O[C@@H](CC(=O)\C=C\C2=CC=C(Cl)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=ROGJKLXFRUDIER-UDKWCLLRSA-N
Formula
C16H19ClO6
Mass
342.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Cinnamic acid esters
- Level 5 C-cinnamoyl glycosides
-
Subclass
Cinnamic acid esters
-
Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
C-cinnamoyl glycosides
Alternative Parents
Hexoses C-glycosyl compounds Styrenes Chlorobenzenes Oxanes Aryl chlorides Acryloyl compounds Enones Secondary alcohols 1,2-diols Ketones Oxacyclic compounds Dialkyl ethers Organic oxides Organochlorides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
C-cinnamoyl glycoside - Hexose monosaccharide - C-glycosyl compound - Glycosyl compound - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Secondary alcohol - 1,2-diol - Ketone - Polyol - Dialkyl ether - Organoheterocyclic compound - Ether - Oxacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organochloride - Organohalogen compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as c-cinnamoyl glycosides. These are c-glycoside derivatives of cinnamic acid. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available