Compound Identification
SMILES
CC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(C)=O)C(C)=O)C(=O)C2=O
InChIKey
InChIKey=XADDVGIXSNQGKN-UHFFFAOYSA-N
Formula
C17H12N2O5
Mass
324.292
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
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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
Indoles and derivatives O-quinones Aryl alkyl ketones Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloquinoline quinone - Indole or derivatives - O-quinone - Quinone - Aryl ketone - Aryl alkyl ketone - Pyridine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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