Structure Information
Structure

Compound Identification

SMILES

CC1=CC2=C(C=C1C)\[N+](=C\C(=O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=C(N2)C(=O)NC(=O)N1

InChIKey

InChIKey=XIQIKRCOODHJDG-OCCSQVGLSA-O

Formula

C17H20N4O9P

Mass

455.339

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pteridines and derivatives

Subclass

Alloxazines and isoalloxazines

Intermediate Tree Nodes

Not available

Direct Parent

Flavins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavin - Pentose monosaccharide - Monosaccharide phosphate - Pyrimidone - Monoalkyl phosphate - Pyrimidine - Acyloin - Primary aromatic amine - Benzenoid - Monosaccharide - Beta-hydroxy ketone - Alkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alpha-hydroxy ketone - Vinylogous amide - Heteroaromatic compound - 1,2-diol - Ketone - Lactam - Urea - Shiff base - Secondary alcohol - Azacycle - Secondary amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - 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

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