Compound Identification
SMILES
OC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(O)=O)C(=O)COCCOCCOCCOCCCCC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C2=O
InChIKey
InChIKey=UPUWRTYUNHSLTL-UHFFFAOYSA-N
Formula
C36H31F17N2O12
Mass
1006.619
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
Quinoline carboxylic acids Indoles and derivatives Pyridinecarboxylic acids Aryl alkyl ketones O-quinones Pyrrole 2-carboxylic acids Substituted pyrroles Vinylogous amides Heteroaromatic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloquinoline quinone - Quinoline-4-carboxylic acid - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - O-quinone - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Quinone - Aryl ketone - Aryl alkyl ketone - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Ketone - Azacycle - Carboxylic acid - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organohalogen compound - Alkyl fluoride - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Alkyl halide - 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