Compound Identification
SMILES
C=CCOC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(=O)OCC=C)C(=O)OCC=C)C(=O)C2=O
InChIKey
InChIKey=MXMHCKQBHHKBSK-UHFFFAOYSA-N
Formula
C23H18N2O8
Mass
450.403
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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 Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloquinoline quinone - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - O-quinone - Aryl ketone - Quinone - Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Pyridine - Heteroaromatic compound - Vinylogous amide - Pyrrole - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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