CDK     0306170845

 16 15  0  0  0  0  0  0  0  0999 V2000
   15.0170  -10.8432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8345  -10.8432    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4043  -10.1117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2855  -11.3165    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   16.5660  -11.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5110  -11.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552  -10.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7158  -12.0480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0871  -11.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3829  -10.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0871  -12.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7914  -10.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1124  -10.1739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6786  -11.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7914  -12.5348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5065  -11.3095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  1  1  0  0  0  0 
  1  4  1  1  0  0  0 
  2  5  1  1  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 14  1  0  0  0  0 
 11 15  1  0  0  0  0 
 12 16  1  0  0  0  0 
M  END
> <ID>
CHEBI:5162

> <NAME>
Fosfomycin tromethamine

> <STAR>
2

> <SYNONYM>
Fosfomycin tromethamine

> <FORMULA>
C4H11NO3.C3H7O4P; C7H18NO7P

> <MASS>
259.194

> <MONOISOTOPIC_MASS>
259.08209

> <CHARGE>
0

> <SMILES>
[C@H]1([C@@H](O1)C)P(=O)(O)O.C(CO)(CO)(CO)N

> <INCHI>
InChI=1S/C4H11NO3.C3H7O4P/c5-4(1-6,2-7)3-8;1-2-3(7-2)8(4,5)6/h6-8H,1-3,5H2;2-3H,1H3,(H2,4,5,6)/t;2-,3+/m.0/s1

> <INCHIKEY>
QZJIMDIBFFHQDW-LMLSDSMGSA-N

> <CAS_REGISTRY_NUMBER>
78964-85-9

> <KEGG_DRUG_ACCESSION>
D00925

$$$$