Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(O)=O)C(=O)OCCC(P(O)(O)=O)P(O)(O)=O)C(=O)C2=O

InChIKey

InChIKey=WRQUADIEMRWPJP-UHFFFAOYSA-N

Formula

C17H14N2O14P2

Mass

532.247

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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

Aromatic heteropolycyclic compounds

Substituents

Pyrroloquinoline quinone - Quinoline-4-carboxylic acid - Bisphosphonate - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - O-quinone - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Aryl ketone - Quinone - Pyridine - Substituted pyrrole - Vinylogous amide - Pyrrole - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - 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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