22 25  0  0  0  0  0  0  0  0999 V2000
   33.5300  -17.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8600  -18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5300  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3400  -18.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6300  -17.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4200  -19.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8600  -15.8900    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   32.3400  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0800  -17.7100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.3400  -19.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.0300  -17.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8200  -19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2800  -14.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0800  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8900  -18.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6600  -18.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7000  -17.7100    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   28.7000  -16.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3000  -18.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3700  -15.8200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8900  -15.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5300  -16.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  4 10  2  0     0  0
  5 11  2  0     0  0
  6 12  1  0     0  0
  7 13  1  0     0  0
  8 14  1  0     0  0
  9 15  1  0     0  0
 11 16  1  0     0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
 17 19  1  0     0  0
 18 20  2  0     0  0
 18 21  1  0     0  0
 19 22  2  0     0  0
  5  7  1  0     0  0
  9 14  1  0     0  0
 12 16  2  0     0  0
 20 22  1  0     0  0
M  END
> <ID>
CHEBI:7773

> <NAME>
Ondansetron

> <STAR>
2

> <SYNONYM>
ondansetron hydrochloride dihydrate; ondansetron hydrochloride; ondansetron HCl; Ondansetron; GR38032F; GR-38032F

> <FORMULA>
C18H19N3O; C18H19N3O

> <MASS>
293.364

> <MONOISOTOPIC_MASS>
293.15281

> <CHARGE>
0

> <SMILES>
Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C

> <INCHI>
InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3

> <INCHIKEY>
FELGMEQIXOGIFQ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
99614-02-5

> <KEGG_COMPOUND_ACCESSION>
C07325

> <KEGG_DRUG_ACCESSION>
D00456

> <LINCS_ACCESSION>
LSM-1375

$$$$