Structure Information
Structure

Compound Identification

SMILES

C[C@H]1O[C@@H](O[C@H]2[C@H](OCC(O)C3=CC(O)=C(O)C=C3)O[C@H](CO)[C@@H](OC(=O)\C=C\C3=CC(O)=C(O)C=C3)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O

InChIKey

InChIKey=PZTVNHKDWVHORF-PPVBMNKFSA-N

Formula

C29H36O16

Mass

640.591

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Coumaric acid or derivatives - Cinnamic acid ester - Disaccharide - Glycosyl compound - O-glycosyl compound - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monocyclic benzene moiety - Fatty acyl - Oxane - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Primary alcohol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen compound - Aromatic alcohol - 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

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