HMDB0040645
     RDKit          3D
3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone
 22 22  0  0  0  0  0  0  0  0999 V2000
   -1.4710   -2.1585    0.5997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -0.9435    0.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2192    0.0595    0.7716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.4033   -0.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8516    1.3419   -0.3456 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2617   -0.6092    0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266   -1.5849    0.3597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5674   -1.2426    0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9944    0.0672    0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3439    0.4048    0.1233 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0264    1.0440    0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7082    0.7017    0.4983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483   -0.3021    1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235    0.9633    1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2322   -0.4806   -1.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1122    0.8938   -1.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6610    1.9188    0.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9353   -2.6458    0.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3353   -2.0055    0.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6890    0.5482   -0.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3294    2.0916    0.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0086    1.5346    0.5982 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
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END