HMDB0000840
     RDKit          3D
Salicyluric acid
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.7048    0.9842    1.1611 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8182   -0.0588    0.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0933   -0.5454    0.2282 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6877   -0.7940   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4079   -0.1833    0.2141 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090   -0.7400   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2952   -1.8096   -0.9589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1401   -0.2686   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2348   -0.9548   -0.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5044   -0.4940   -0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7643    0.6362    0.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069    1.3105    0.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4019    0.8499    0.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4191    1.6154    1.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6165   -0.2377   -0.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357   -0.9136   -1.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7028   -1.8266    0.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440    0.6617    0.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0565   -1.8439   -1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3678   -1.0168   -0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7836    0.9871    0.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8764    2.2084    1.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5593    2.4337    1.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 14 23  1  0
M  END