CDK     1030232202

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.1434    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7144    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4290   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4290    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6425    0.9826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6425    2.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1274    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8975    3.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1524    3.8867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  5  3  1  6  0  0  0 
  6  5  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  6  9  1  1  0  0  0 
  7 10  1  0  0  0  0 
 11  7  1  0  0  0  0 
 12  8  1  0  0  0  0 
  9 13  1  0  0  0  0 
 11 14  1  6  0  0  0 
 12 15  1  1  0  0  0 
 13 16  2  0  0  0  0 
 13 17  1  0  0  0  0 
 15 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 17 20  2  0  0  0  0 
 19 21  1  0  0  0  0 
 19 22  2  0  0  0  0 
 20 23  1  0  0  0  0 
 21 24  1  0  0  0  0 
 22 25  1  0  0  0  0 
 23 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 27 28  3  0  0  0  0 
 11 12  1  0  0  0  0 
 20 22  1  0  0  0  0 
 25 26  2  0  0  0  0 
M  END
> <ID>
CHEBI:220649

> <NAME>
Huimycin

> <STAR>
2

> <FORMULA>
C16H20N6O6

> <MASS>
392.372

> <MONOISOTOPIC_MASS>
392.14443

> <CHARGE>
0

> <SMILES>
O=C(N[C@H]1[C@@H](O[C@H](CO)[C@H](C1O)O)NC2=NC(OC)=C3C(C#N)=CNC3=N2)C

> <INCHI>
InChI=1S/C16H20N6O6/c1-6(24)19-10-12(26)11(25)8(5-23)28-15(10)22-16-20-13-9(14(21-16)27-2)7(3-17)4-18-13/h4,8,10-12,15,23,25-26H,5H2,1-2H3,(H,19,24)(H2,18,20,21,22)/t8-,10-,11-,12?,15-/m1/s1

> <INCHIKEY>
BRRSZXCYCYQTAX-LNGZYZRESA-N

$$$$