HMDB0029714
     RDKit          3D
4,5-Dihydro-1-benzoxepin-3(2H)-one
 22 23  0  0  0  0  0  0  0  0999 V2000
   -3.2559    0.7655    0.8094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3362    0.6285    0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0611   -0.7434   -0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8888   -1.3689    0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3620   -0.5845    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4735   -1.4236    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7604   -0.9633    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563    0.3791   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9023    1.2625   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018    0.7733    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3184    1.8097    0.1007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6275    1.8686   -0.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9404   -1.3846   -0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8977   -0.8100   -1.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7392   -2.3827   -0.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1755   -1.5116    1.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3145   -2.4987    0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230   -1.6325   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9638    0.7947   -0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1045    2.3378   -0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6588    1.9376   -1.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1623    2.7464    0.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12  2  1  0
 10  5  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
 12 21  1  0
 12 22  1  0
M  END