20 17  0  0  1  0  0  0  0  0999 V2000
   20.4404  -16.3105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   21.6529  -17.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8654  -16.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0778  -17.0105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.2903  -16.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5028  -17.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7152  -16.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9277  -17.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1402  -16.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3527  -17.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5652  -16.3105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.7776  -17.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9901  -16.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2026  -17.0105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   27.7152  -14.9105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9277  -18.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5028  -18.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1402  -14.9108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4600  -18.9700    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   24.0100  -20.0200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     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
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  7 15  1  1     0  0
  8 16  1  1     0  0
  6 17  1  6     0  0
  9 18  1  6     0  0
M  END
> <ID>
CHEBI:82481

> <NAME>
Mannomustine dihydrochloride

> <STAR>
2

> <SYNONYM>
Degranol

> <FORMULA>
C10H24Cl4N2O4

> <MASS>
378.12100

> <MONOISOTOPIC_MASS>
376.04902

> <CHARGE>
0

> <SMILES>
Cl.Cl.O[C@H](CNCCCl)[C@@H](O)[C@H](O)[C@H](O)CNCCCl

> <INCHI>
InChI=1S/C10H22Cl2N2O4.2ClH/c11-1-3-13-5-7(15)9(17)10(18)8(16)6-14-4-2-12;;/h7-10,13-18H,1-6H2;2*1H/t7-,8-,9-,10-;;/m1../s1

> <INCHIKEY>
GBKLAYXZNQSPBS-XYSQQLOGSA-N

> <CAS_REGISTRY_NUMBER>
551-74-6

> <KEGG_COMPOUND_ACCESSION>
C19441

$$$$