Structure Information
Structure

Compound Identification

SMILES

CC1=CC2=C(C=C1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)COS(O)(=O)=O)C1=NC(=O)NC(=O)C1=N2

InChIKey

InChIKey=RUUGCTAFWMEMDH-MBNYWOFBSA-N

Formula

C17H20N4O9S

Mass

456.43

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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 - Diazanaphthalene - Quinoxaline - Pyrimidone - Pyrazine - Pyrimidine - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Heteroaromatic compound - Vinylogous amide - Lactam - Secondary alcohol - Polyol - Azacycle - Organic oxide - Alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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

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