Compound Identification
SMILES
CC1=CC2=C(C=C1C)[N+](CC(O)C(O)C(O)O)=C1NC(=O)NC(=O)C1=N2
InChIKey
InChIKey=BXFHJBWNOMFXIS-UHFFFAOYSA-O
Formula
C16H19N4O6
Mass
363.349
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pteridines and derivatives
-
Subclass
Alloxazines and isoalloxazines
- Level 5 Flavins
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Subclass
Alloxazines and isoalloxazines
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Class
Pteridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Alloxazines and isoalloxazines
Intermediate Tree Nodes
Not available
Direct Parent
Flavins
Alternative Parents
Quinoxalines Pyrimidones Pyrazinium compounds Pyrazines Benzenoids Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols 1,2-diols Lactams 1,1-diols Azacyclic compounds Carbonyl hydrates Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - Diazanaphthalene - Quinoxaline - Pyrimidone - Pyrazine - Pyrimidine - Pyrazinium - Benzenoid - Heteroaromatic compound - Vinylogous amide - 1,2-diol - Lactam - Secondary alcohol - Urea - Azacycle - Polyol - Carbonyl hydrate - 1,1-diol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavins. These are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring.
External Descriptors
Not available