KEGG:C09743  Valerenic acid
  ISISHOST03240423232D 1   1.00000     0.00000  8785
 18 19  0     1  0            999 V2000
    5.0456  -12.3755    0.0000 C   0  0  1  0  0  0           0  0  0
    5.7568  -11.9699    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0456  -13.2047    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0456  -10.7276    0.0000 C   0  0  1  0  0  0           0  0  0
    5.7568  -11.1408    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7568  -13.6111    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0456   -9.9018    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4714  -13.1978    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7602  -14.4367    0.0000 C   0  0  0  0  0  0           0  0  0
    6.4680  -12.3686    0.0000 O   0  0  0  0  0  0           0  0  0
    7.1861  -13.6077    0.0000 O   0  0  0  0  0  0           0  0  0
    4.3240  -10.3151    0.0000 H   0  0  0  0  0  0           0  0  0
    4.3281  -11.9661    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3309  -11.1408    0.0000 C   0  0  2  0  0  0           0  0  0
    3.5453  -10.8796    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0585  -11.5471    0.0000 C   0  0  0  0  0  0           0  0  0
    3.5409  -12.2179    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2749  -13.0308    0.0000 C   0  0  0  0  0  0           0  0  0
  3  6  2  0     0  0
  4  7  1  6     0  0
  6  8  1  0     0  0
  6  9  1  0     0  0
  8 10  1  0     0  0
  8 11  2  0     0  0
  4  5  1  0     0  0
 14 12  1  1     0  0
 13  1  1  0     0  0
  1  2  1  0     0  0
  1  3  1  1     0  0
 14  4  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 13  2  0     0  0
  2  5  1  0     0  0
 17 18  1  0     0  0
M  END