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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
- Level 5 Dibenzopyrans
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Subclass
1-benzopyrans
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Class
Benzopyrans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Dibenzopyrans - Xanthenes
Direct Parent
Xanthones
Alternative Parents
Naphthopyranones Phenanthrenes and derivatives Chromones Isoquinolones and derivatives Naphthols and derivatives Tetrahydroisoquinolines Anisoles 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Tertiary carboxylic acid amides Vinylogous acids Heteroaromatic compounds Secondary alcohols Lactams Polyols Oxacyclic compounds Azacyclic compounds Dialkyl ethers Acetals Organopnictogen compounds Organic oxides Organonitrogen compounds Organochlorides Hydrocarbon derivatives
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