osalmid
  CDK     0222171949

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.0727   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -2.3870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7871   -3.6234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -3.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3582   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3582   -2.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -4.8620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3582   -4.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707   -3.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3582   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707   -1.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707   -4.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0707   -1.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7851   -0.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  2  0  0  0  0 
  5  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
  8 13  1  0  0  0  0 
  9 14  2  0  0  0  0 
 11 15  2  0  0  0  0 
 12 15  1  0  0  0  0 
 13 16  2  0  0  0  0 
 14 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:31938

> <NAME>
Osalmid

> <STAR>
2

> <SYNONYM>
salmidochol; oxaphenamide; oxaphenamid; osalmide; Osalmid; oksafenamide

> <FORMULA>
C13H11NO3; C13H11NO3

> <MASS>
229.232

> <MONOISOTOPIC_MASS>
229.07389

> <CHARGE>
0

> <SMILES>
C(NC1=CC=C(C=C1)O)(=O)C2=C(O)C=CC=C2

> <INCHI>
InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)

> <INCHIKEY>
LGCMKPRGGJRYGM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
526-18-1

> <KEGG_DRUG_ACCESSION>
D01579

$$$$