HMDB0034344
     RDKit          3D
Scopoletin
 22 23  0  0  0  0  0  0  0  0999 V2000
    3.1571    0.3060   -1.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445    0.1261   -0.1230 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120    0.0281    0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4952    0.1025   -0.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350    0.0063   -0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8528    0.0810   -1.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1747   -0.0189   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4434   -0.1942    0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6675   -0.2815    0.7557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4683   -0.2603    1.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1972   -0.1695    0.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1794   -0.2423    1.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1549   -0.1475    1.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650   -0.2267    2.5402 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6115   -0.3810   -2.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2444    0.1291   -1.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9827    1.3764   -1.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7107    0.2394   -1.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060    0.2181   -2.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9468    0.0428   -1.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4182   -0.3785    2.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9112   -0.3556    3.5113 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  3  1  0
 11  5  2  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  4 18  1  0
  6 19  1  0
  7 20  1  0
 12 21  1  0
 14 22  1  0
M  END