25 27  0  0  0  0  0  0  0  0999 V2000
   31.3600  -20.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5200  -19.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8000  -17.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0600  -17.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7600  -20.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3200  -17.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6000  -19.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8200  -16.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4900  -17.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1400  -18.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1200  -19.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0000  -19.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9800  -18.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7000  -17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3700  -17.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0600  -15.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2500  -15.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4400  -16.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6300  -15.3300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.8900  -16.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7000  -13.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4400  -16.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1100  -16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1300  -15.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7600  -18.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0     0  0
  1  5  1  0     0  0
  4  6  1  0     0  0
  2  3  1  0     0  0
  5  7  1  0     0  0
  1  2  1  0     0  0
  6  7  1  0     0  0
  3  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
  2 11  2  0     0  0
  7 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
  6 15  2  0     0  0
  4 16  2  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 19 21  1  0     0  0
  9 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 23 25  2  0     0  0
M  END
> <ID>
CHEBI:7769

> <NAME>
Olopatadine

> <STAR>
2

> <SYNONYM>
patanol; pataday; opatanol; olopatadine hydrochloride; olopatadine HCl; Olopatadine

> <FORMULA>
C21H23NO3

> <MASS>
337.413

> <MONOISOTOPIC_MASS>
337.16779

> <CHARGE>
0

> <SMILES>
CN(C)CC\C=C1/c2ccccc2COc2ccc(CC(O)=O)cc12

> <INCHI>
InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8+

> <INCHIKEY>
JBIMVDZLSHOPLA-QGMBQPNBSA-N

> <CAS_REGISTRY_NUMBER>
113806-05-6

> <KEGG_COMPOUND_ACCESSION>
C07789

> <KEGG_DRUG_ACCESSION>
D08293

$$$$