39 42  0  0  1  0  0  0  0  0999 V2000
   19.8144  -29.0979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0817  -28.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2784  -29.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5456  -28.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5456  -26.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2784  -26.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0817  -26.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2784  -30.5060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8849  -26.2819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7425  -26.2819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2784  -24.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4752  -24.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6721  -24.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9394  -24.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9394  -22.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7425  -22.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4752  -22.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2784  -22.0578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.1362  -24.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3329  -24.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3329  -22.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1362  -22.0578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5297  -22.0578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5297  -24.8739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.1362  -26.2819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7266  -24.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7266  -19.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7266  -21.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9235  -22.0578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.1907  -21.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1907  -19.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9235  -19.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5297  -19.2418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.3874  -19.2418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9235  -17.8338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.3874  -22.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5842  -21.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9394  -25.3667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9394  -21.3537    0.0000 H   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
 17 18  1  6     0  0
 14 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 15 22  1  0     0  0
 21 23  1  6     0  0
 20 24  1  1     0  0
 19 25  1  1     0  0
 24 26  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 27 32  1  0     0  0
 28 23  1  6     0  0
 27 33  1  6     0  0
 31 34  1  6     0  0
 32 35  1  1     0  0
 30 36  1  1     0  0
 36 37  1  0     0  0
 14 38  1  6     0  0
 15 39  1  1     0  0
M  END
> <ID>
CHEBI:81449

> <NAME>
Saccharocin

> <STAR>
2

> <SYNONYM>
KA-5685; 4''-Deamino-4''-hydroxyapramycin

> <FORMULA>
C21H40N4O12

> <MASS>
540.56190

> <MONOISOTOPIC_MASS>
540.26427

> <CHARGE>
0

> <SMILES>
CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI>
InChI=1S/C21H40N4O12/c1-25-10-13(29)18-8(33-20(10)37-21-16(32)14(30)12(28)9(4-26)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)11(27)15(17)31/h5-21,25-32H,2-4,22-24H2,1H3/t5-,6+,7-,8+,9-,10+,11+,12-,13-,14+,15-,16-,17-,18+,19+,20-,21-/m1/s1

> <INCHIKEY>
WKKBQRRWYZAXFF-VJCYLLSFSA-N

> <CAS_REGISTRY_NUMBER>
86630-31-1

> <KEGG_COMPOUND_ACCESSION>
C17998

$$$$