HMDB0001868
     RDKit          3D
5-Methoxysalicylic acid
 20 20  0  0  0  0  0  0  0  0999 V2000
    3.2037   -0.8397    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273    0.4508    0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    0.5850    0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6635    1.8339    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7079    1.9666    0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5004    0.8326    0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728    0.9559    0.1647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9535   -0.4493    0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8131   -1.6237    0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3401   -2.7826    0.0746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1905   -1.5025    0.1089 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4161   -0.5169    0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3227   -0.7108    0.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9057   -1.3919    1.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9447   -1.4048   -0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166    2.7122    0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1361    2.9597    0.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3182    1.8602    0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6606   -1.4142    0.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481   -1.5204    0.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8 12  2  0
 12  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
 11 19  1  0
 12 20  1  0
M  END