Structure Information
Structure

Compound Identification

SMILES

OC1=C(O)C=C(\C=C\C(=O)O[C@@H]2CC3(O)C[C@@H](OC(=O)\C=C\C4=CC(O)=C(O)C=C4)C2OC3=O)C=C1

InChIKey

InChIKey=XYNKWVHGMIUSPU-RDJMKVHDSA-N

Formula

C25H22O11

Mass

498.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Monosaccharides - Hexoses

Direct Parent

Gluconolactones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Gluconolactone - Coumaric acid or derivatives - Cinnamic acid or derivatives - Tricarboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Fatty acyl - Benzenoid - Oxane - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Cyclic alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as gluconolactones. These are polyhydroxy acids containing a gluconolactone molecule, which is characterized by a tetrahydropyran substituted by three hydroxyl groups, one ketone group, and one hydroxymethyl group.

External Descriptors

Not available

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