Marvin  01271114352D          

 19 21  0  0  0  0            999 V2000
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
 17  3  1  0  0  0  0
 17  1  1  0  0  0  0
  4 12  1  0  0  0  0
 12  2  2  0  0  0  0
 13  1  2  0  0  0  0
  2  1  1  0  0  0  0
  2 14  1  0  0  0  0
 13 11  1  0  0  0  0
 14 19  1  0  0  0  0
 19 11  1  0  0  0  0
  5  3  2  0  0  0  0
  3  4  1  0  0  0  0
  6  4  2  0  0  0  0
  5  9  1  0  0  0  0
  9  7  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11 16  2  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
M  CHG  1  19  -1
M  END
> <ID>
CHEBI:60531

> <NAME>
flavin(1-)

> <DEFINITION>
Flavin protonated to pH 7.3

> <STAR>
3

> <SYNONYM>
an oxidized flavin

> <FORMULA>
C12H8N4O2R

> <MASS>
240.21750

> <MONOISOTOPIC_MASS>
240.06473

> <CHARGE>
-1

> <SMILES>
Cc1cc2nc3c(nc(=O)[n-]c3=O)n([*])c2cc1C

$$$$