Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](OC2=CC=CC3=C2OC2=C(C(O)=CC(O)=C2S(O)(=O)=O)C3=O)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=PTYSSAGSVAYSDY-XFRIUUDKSA-N

Formula

C19H18O13S

Mass

486.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

1-benzopyrans

Intermediate Tree Nodes

Dibenzopyrans - Xanthenes

Direct Parent

Xanthones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenolic glycoside - Xanthone - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Arylsulfonic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Monosaccharide - Oxane - Pyran - Benzenoid - Organic sulfonic acid or derivatives - Sulfonyl - Vinylogous acid - Organosulfonic acid - Organosulfonic acid or derivatives - Heteroaromatic compound - Secondary alcohol - Polyol - Acetal - Oxacycle - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Alcohol - Primary alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.

External Descriptors

Not available

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