Compound Identification
SMILES
O[C@@H]1[C@@H](COC(=O)\C=C\C2=CC(O)=C(O)C=C2)O[C@@H](OC2=COC=CC2=O)[C@H](O)[C@H]1O
InChIKey
InChIKey=CLFSHBHNICRSDA-ROGMSIAGSA-N
Formula
C20H20O11
Mass
436.369
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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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 O-glycosyl compounds Styrenes Catechols 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Oxanes Monosaccharides Enoate esters Heteroaromatic compounds Secondary alcohols Cyclic ketones Polyols Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Pyranone - Fatty acyl - Benzenoid - Pyran - Monosaccharide - Oxane - Monocyclic benzene moiety - Enoate ester - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Cyclic ketone - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Polyol - Carbonyl group - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic 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