HMDB0041804
     RDKit          3D
2-Isopropoxyphenol
 23 23  0  0  0  0  0  0  0  0999 V2000
   -2.8315   -0.2460   -0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7414   -0.1462    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4071    0.6274    1.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6382    0.5802   -0.0624 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6546    0.1084   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -1.1715    0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3355   -1.6023    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3217   -0.7631   -0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9603    0.5155   -0.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6653    0.9526   -0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3147    2.2594   -1.0015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0571    0.7694   -1.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7418   -0.6259   -0.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5499   -0.9550   -1.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5447   -1.1766    0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4906    0.3618    1.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3731    1.7092    1.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9149    0.3333    2.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242   -1.8824    0.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005   -2.6231    0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3439   -1.0930   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7495    1.1750   -1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9956    2.8926   -1.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  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
 10  5  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  3 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
 11 23  1  0
M  END