HMDB0032131
     RDKit          3D
3,5-Dihydroxycinnamic acid
 21 21  0  0  0  0  0  0  0  0999 V2000
    4.0566   -2.1991   -0.6722 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5022   -1.1938   -0.1732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2452   -0.2394    0.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0416   -1.0813   -0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680   -0.0305    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0319    0.1523    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8130   -0.7172   -0.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1909   -0.5037   -0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9546   -1.4428   -1.3750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6934    0.6354   -0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8549    1.5214    0.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4116    2.6676    1.1244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5026    1.2907    0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2200   -0.1478    0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5355   -1.8574   -0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0883    0.6877    0.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4151   -1.6127   -1.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9548   -1.3557   -1.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7673    0.8061   -0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7225    2.5985    2.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0916    2.0216    1.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  9 18  1  0
 10 19  1  0
 12 20  1  0
 13 21  1  0
M  END