HMDB0039147
     RDKit          3D
6-Formylumbelliferone
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.6902   -0.8212    4.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1183   -0.5455    3.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1867   -0.3380    1.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735   -0.0298    0.8554 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723    0.1835   -0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7326    0.4867   -1.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4508    0.6862   -2.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1756    0.5973   -3.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0656    0.7847   -4.4127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7828    0.3102   -2.3417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    0.1039   -1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6254   -0.1943   -0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272   -0.4149    1.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5283   -0.7098    1.9490 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1676   -0.4602    3.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8762    0.0369    1.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7098    0.5485   -0.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.9248   -3.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6352   -0.2705   -0.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5021   -0.8786    2.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  2 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
 12 19  1  0
 14 20  1  0
M  END