Compound Identification
SMILES
CC1=CC2=C(N=C3C(=O)NC(=O)N=C3N2CC(O)C(O)C(O)CO)C(N=[N+]=[N-])=C1C
InChIKey
InChIKey=IPZATODYBIFHSN-UHFFFAOYSA-N
Formula
C17H19N7O6
Mass
417.382
Taxonomic Classification
Taxonomy Tree
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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
-
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 Benzenoids Pyrazines Vinylogous amides Heteroaromatic compounds Lactams Azo compounds Azo imides Secondary alcohols Polyols Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - Quinoxaline - Pyrimidone - Pyrazine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azo compound - Secondary alcohol - Azo imide - Lactam - Azacycle - Polyol - Organic salt - Organic oxygen compound - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic zwitterion - 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