24 25  0  0  1  0  0  0  0  0999 V2000
   23.6632  -21.6911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.8729  -20.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1108  -21.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3207  -21.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3209  -19.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0829  -18.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8731  -19.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1106  -23.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6916  -18.9132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5537  -18.9005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0831  -17.5116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2994  -16.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4951  -17.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7049  -16.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7052  -15.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5094  -14.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2997  -15.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9330  -17.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0764  -14.7057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.9324  -18.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6633  -23.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5490  -21.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5099  -13.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9079  -14.7112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  2  7  1  0     0  0
  3  8  1  1     0  0
  7  9  1  1     0  0
  5 10  1  1     0  0
  6 11  1  6     0  0
 12 11  1  6     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 12 17  1  0     0  0
 14 18  1  1     0  0
 17 19  1  6     0  0
 18 20  1  0     0  0
  1 21  1  0     0  0
  4 22  1  6     0  0
 16 23  1  1     0  0
 15 24  1  6     0  0
M  END
> <ID>
CHEBI:81424

> <NAME>
Fortimicin KL1

> <STAR>
2

> <FORMULA>
C13H28N4O7

> <MASS>
352.38400

> <MONOISOTOPIC_MASS>
352.19580

> <CHARGE>
0

> <SMILES>
CN[C@H]1[C@H](O)[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O

> <INCHI>
InChI=1S/C13H28N4O7/c1-17-6-10(21)8(19)4(15)12(11(6)22)24-13-5(16)9(20)7(18)3(2-14)23-13/h3-13,17-22H,2,14-16H2,1H3/t3-,4+,5-,6+,7-,8+,9-,10+,11-,12-,13-/m1/s1

> <INCHIKEY>
BYPFOZNNHPOWJK-IXMAVWSQSA-N

> <KEGG_COMPOUND_ACCESSION>
C17973

$$$$