HMDB0040592
     RDKit          3D
Allyl benzoate
 22 22  0  0  0  0  0  0  0  0999 V2000
    4.0555   -0.4575   -0.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1978   -0.5231    0.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4495    0.6664    1.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0509    0.5053    0.9262 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3801    0.2530   -0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0169    0.1507   -1.3070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0633    0.1008   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7749    0.2119    0.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1335    0.0702    0.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8108   -0.1854   -0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1281   -0.3012   -1.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7609   -0.1549   -1.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5802   -1.3503   -0.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2231    0.4985   -0.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0501   -1.4720    1.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6614    0.8924    2.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7463    1.5638    0.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2879    0.4120    1.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7058    0.1578    1.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8970   -0.2929   -0.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6675   -0.5042   -2.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1824   -0.2415   -2.3475 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  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END