HMDB0030800
     RDKit          3D
3-Methoxy-4,5-methylenedioxybenzoic acid
 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.8571    3.1210    0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3288    1.8362    0.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5940    0.6894   -0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7693    0.6498    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912   -0.5285   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9384   -0.4837    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5956   -1.5545   -0.0402 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5606    0.7386    0.2821 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8470   -1.7157   -0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5213   -1.6975   -0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2315   -0.5063   -0.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5764   -0.8390   -0.4863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910   -2.2431   -0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4161   -2.7237   -0.6508 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062    3.2820    0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    3.3441    1.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4463    3.9121   -0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3065    1.5753    0.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8970    0.9547    1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4086   -2.6669   -0.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8629   -2.4388    0.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4917   -2.7056   -0.8312 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
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 11  3  1  0
 14 10  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  4 18  1  0
  8 19  1  0
  9 20  1  0
 13 21  1  0
 13 22  1  0
M  END