HMDB0013198
     RDKit          3D
4-O-Methylgallic acid
 21 21  0  0  0  0  0  0  0  0999 V2000
   -3.1781    0.9630    0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2802    0.5710   -0.5934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9762    0.2231   -0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6574   -1.1095   -0.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6557   -2.0572   -0.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6668   -1.4673    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6780   -0.5357   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0805   -0.8902    0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3638   -2.0839    0.3395 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0853    0.0356    0.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3536    0.8021   -0.3093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0164    1.1730   -0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3353    2.4881   -0.7340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0605    2.0196    0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2111    0.8943   -0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1385    0.2924    1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4153   -3.0237    0.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874   -2.5039    0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535   -0.0808   -0.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1285    1.5549   -0.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3054    2.7352   -0.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  1  0
 11 12  2  0
 12 13  1  0
 12  3  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  5 17  1  0
  6 18  1  0
 10 19  1  0
 11 20  1  0
 13 21  1  0
M  END