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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Quinolines and derivatives
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Subclass
Pyrroloquinolines
- Level 5 Pyrroloquinoline quinones
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Subclass
Pyrroloquinolines
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Class
Quinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Pyrroloquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloquinoline quinones
Alternative Parents
Pyridinecarboxylic acids Indoles and derivatives Pyrrole carboxylic acids and derivatives O-quinones Aryl ketones Substituted pyrroles Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
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