HMDB0037625
     RDKit          3D
Allyl tiglate
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.2190    0.8221    1.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7620   -0.2872    0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -0.3296   -0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397   -0.7130   -1.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1110   -0.0354   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1384    1.0004    0.2164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5047   -0.4522   -0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8538   -1.6931   -1.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5163    0.1950   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2818    1.4149    0.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2493    1.7178    0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5711    0.8838    2.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7314   -1.1763    1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5113    0.6312   -1.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8709   -1.0983   -1.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1229   -1.7735   -2.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8930   -1.6449   -1.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6856   -2.5369   -0.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5400   -0.1918   -0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2910    1.7695    1.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6656    1.2577    1.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8258    2.2398    0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
M  END