Chem
J-GLOBAL ID：200907037482523073   Nikkaji number：J674.502D

Nekoflavin

ネコフラビン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H20N4O7
Molecular formula furigana： C17-H20-N4-O7
Molecular weight： 392.368
InChI： InChI=1S/C17H20N4O7/c1-7-2-10-9(3-8(7)5-22)18-13-15(19-17(28)20-16(13)27)21(10)4-11(24)14(26)12(25)6-23/h2-3,11-12,14,22-26H,4-6H2,1H3,(H,20,27,28)/t11-,12+,14-/m0/s1
InChI key： MZVHZNRDIPHUMT-SCRDCRAPSA-N
SMILES： Cc1cc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c3nc(=O)[nH]c(=O)c3nc2cc1CO
Systematic name  (4)：
  • α-ヒドロキシリボフラビン
  • 7-(ヒドロキシメチル)-7-デメチルリボフラビン
  • 7-(ヒドロキシメチル)-8-メチル-10-[(2S,3S,4R)-2,3,4,5-テトラヒドロキシペンチル]-2H,3H,4H,10H-ベンゾ[g]プテリジン-2,4-ジオン
  • 7-(hydroxymethyl)-8-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione
Other name (4)：
  • ネコフラビン
  • Nekoflavin
  • α-Hydroxyriboflavin
  • 7-(Hydroxymethyl)-7-demethylriboflavin
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