31 32  0  0  1  0  0  0  0  0999 V2000
   32.5419  -18.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5419  -19.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.7511  -20.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9599  -19.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9599  -18.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7511  -17.8687    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.1459  -18.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1459  -19.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9372  -17.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7282  -18.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7282  -19.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.9372  -20.6604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5191  -17.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1872  -20.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7511  -22.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5251  -22.7640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.9429  -22.7445    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   26.2909  -18.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5419  -17.1693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1392  -17.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0074  -18.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4611  -19.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8734  -19.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5190  -16.4515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.4133  -19.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.5983  -20.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.7915  -19.9604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   38.5979  -22.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7244  -15.7554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7244  -14.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2578  -22.6787    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  1  7  1  0     0  0
  7  8  1  0     0  0
  2  8  1  0     0  0
  7  9  1  1     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
  8 12  2  0     0  0
 10 13  1  0     0  0
  4 14  1  0     0  0
  3 15  1  0     0  0
 15 16  2  0     0  0
 15 17  1  0     0  0
 13 18  1  0     0  0
  1 19  1  6     0  0
 18 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 18 23  2  0     0  0
 13 24  2  0     0  0
 14 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 26 28  2  0     0  0
 24 29  1  0     0  0
 29 30  1  0     0  0
M  CHG  2  17  -1  31   1
M  END
> <ID>
CHEBI:3517

> <NAME>
Cefuroxime sodium

> <STAR>
2

> <SYNONYM>
Cefuroxime sodium

> <FORMULA>
C16H15N4O8S.Na

> <MASS>
446.369

> <MONOISOTOPIC_MASS>
446.05083

> <CHARGE>
0

> <SMILES>
[Na+].CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O)c1ccco1

> <INCHI>
InChI=1S/C16H16N4O8S.Na/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20;/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24);/q;+1/p-1/b19-9-;/t10-,14-;/m1./s1

> <INCHIKEY>
URDOHUPGIOGTKV-JTBFTWTJSA-M

> <CAS_REGISTRY_NUMBER>
56238-63-2

> <KEGG_COMPOUND_ACCESSION>
C08108

> <KEGG_DRUG_ACCESSION>
D00915

$$$$