Roseoflavin

enlarge

Systematic / IUPAC Name: 1-Deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol

ID: Reference5858

Other Names: Roseoflavine;
8-(Dimethylamino)-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione;
8-Demethyl-8-(dimethylamino)riboflavin;
8-Dimethylaminoriboflavin

Formula: C18H23N5O6

Class: Endogenous Metabolites

Spectral Data

Roseoflavin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/31/2016 8:07:57 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)/t12-,13+,15-/m0/s1
InChI Key IGQLDUYTWDABFK-GUTXKFCHSA-N
Canonical SMILES CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
CAS 51093551
Splash
Other Names Roseoflavine;
8-(Dimethylamino)-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione;
8-Demethyl-8-(dimethylamino)riboflavin;
8-Dimethylaminoriboflavin

In Other Databases

PubChem 49867612
ChEBI CHEBI:72346
ChemSpider 25060405
Wikipedia Roseoflavin (DE)