Structure Information
Structure

Compound Identification

SMILES

COc1c(Br)ccc2c1oc1c3OCO[C@@H]4C[C@@H]5C(=O)c6cc(C)nc(O)c6C(=O)[C@]5(O)c(c(O)c1c2=O)c34

InChIKey

InChIKey=XHIYVAJXWBTWLS-JUEDDRGBSA-N

Formula

C27H18BrNO10

Mass

596.342

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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

Xanthone - Naphthopyranone - Phenanthrene - Naphthopyran - Chromone - Naphthalene - Tetralin - Anisole - Aryl alkyl ketone - Aryl ketone - Methylpyridine - Hydroxypyridine - Alkyl aryl ether - Pyranone - Pyridine - Pyran - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Vinylogous acid - Tertiary alcohol - Ketone - Polyol - Ether - Acetal - Oxacycle - Azacycle - Alcohol - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - 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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