Compound Identification
SMILES
CCCC(=O)OCC(O)C(O)C(O)CN1C2=C(C=C(C)C(C)=C2)N=C2C(=O)NC(=O)N=C12
InChIKey
InChIKey=DNNYFPLSGADQHQ-UHFFFAOYSA-N
Formula
C21H26N4O7
Mass
446.46
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
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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 Fatty acid esters Benzenoids Pyrazines Vinylogous amides Heteroaromatic compounds 1,2-diols Secondary alcohols Carboxylic acid esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavin - Quinoxaline - Fatty acid ester - Pyrimidone - Pyrazine - Pyrimidine - Benzenoid - Fatty acyl - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Carboxylic acid ester - Lactam - 1,2-diol - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Polyol - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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