Structure Information
Structure

Compound Identification

SMILES

CO[C@H]1[13C@H]2OCO[13C]3=C2[13C](=C(O)[13C]2=C3OC3=[13C](C=[13CH]C(Cl)=[13C]3[18O]C)C2=O)C2=[13C]([18OH])C3=[13C](C=[13C]12)[C@H](O)[13C@H](OC)N(C)[13C]3=[18O]

InChIKey

InChIKey=NEOMIZJYHXSRLV-OJCMMIGWSA-N

Formula

C29H24ClNO11

Mass

615.87

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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 - 1-naphthol - Isoquinolone - Chromone - Naphthalene - Tetrahydroisoquinoline - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous acid - Tertiary carboxylic acid amide - Carboxamide group - Secondary alcohol - Lactam - Acetal - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Azacycle - Polyol - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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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