HMDB0038628
     RDKit          3D
Hydroxymethyl indol-3-yl ketone
 22 23  0  0  0  0  0  0  0  0999 V2000
    2.9766    0.2789    1.5156 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0617   -0.1290    0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276   -1.1959   -0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7866   -1.5723   -0.0331 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7359    0.4522    0.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3558    1.4928    1.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210    1.8065    1.4553 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4154    1.0162    0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6659    0.9440   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9035    0.0337   -1.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9300   -0.8196   -1.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6729   -0.7315   -0.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4041    0.1810    0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3126   -0.8406   -1.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8464   -2.1097   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1490   -1.9258   -0.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636    1.9230    2.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4713    2.5351    1.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4502    1.6254    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8899   -0.0245   -1.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1074   -1.5554   -2.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1158   -1.3844   -1.2836 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
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  5  1  0
 13  8  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END