Structure Information
Structure

Compound Identification

SMILES

[99Tc+4].CCOC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(=O)OC)C(=O)OC)C(=O)C2=O.CCOC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(=O)OC)C(=O)OC)C(=O)C2=O

InChIKey

InChIKey=MIBMEEHAYCHQQW-NGAFWABFSA-N

Formula

C36H28N4O16Tc

Mass

871.536

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Quinolines and derivatives

Subclass

Pyrroloquinolines

Intermediate Tree Nodes

Not available

Direct Parent

Pyrroloquinoline quinones

Alternative Parents

Molecular Framework

Not available

Substituents

Pyrroloquinoline quinone - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - O-quinone - Pyrrole-2-carboxylic acid or derivatives - Aryl ketone - Quinone - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Methyl ester - Ketone - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrroloquinoline quinones. These are compounds with a structure based on the 2,7,-tricarboxy-1H-pyrrolo[2,3-f ]quinoline-4,5-dione. Pyrroloquinoline Quinones usually bear a carboxylic acid group at the C-2, C-7 and C-9 positions.

External Descriptors

Not available

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