Compound Identification
SMILES
COC(=O)C(\C)=C\C1=CC(OS(C)(=O)=O)=C(O[C@@H]2O[C@H]([C@@H](C)O)[C@@H]3O[C@H]23)C=C1
InChIKey
InChIKey=CXDMAWYLQJWQFC-FOCPGBCWSA-N
Formula
C18H22O9S
Mass
414.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid esters Phenoxy compounds Phenol ethers Fatty acid esters 1,4-dioxanes Sulfonic acid esters Monosaccharides Organosulfonic acid esters Sulfonyls Enoate esters Oxolanes Methanesulfonates Methyl esters Secondary alcohols Epoxides Acetals Dialkyl ethers Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Phenoxy compound - Phenol ether - Fatty acid ester - Para-dioxane - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Benzenoid - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Oxolane - Alpha,beta-unsaturated carboxylic ester - Organic sulfonic acid or derivatives - Enoate ester - Organosulfonic acid or derivatives - Methyl ester - Sulfonyl - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Ether - Oxirane - Dialkyl ether - Acetal - Organosulfur compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available