HMDB0126386
     RDKit          3D
3-(2,4-Dihydroxyphenyl)propanoic acid
 23 23  0  0  0  0  0  0  0  0999 V2000
   -4.1989    1.4001    0.4897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4212    0.4736    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9392   -0.7130   -0.3607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9615    0.7432    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1525   -0.4252   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2982   -0.2254   -0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0188    0.1313   -1.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3752    0.3571   -1.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418    0.2244    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4252    0.4557    0.0173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3828   -0.1249    1.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9994   -0.3494    1.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3250   -0.7060    2.2709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5029   -1.3477    0.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7790    1.6621   -0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7120    1.0052    1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4594   -0.6975   -1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4591   -1.3051    0.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4738    0.2292   -2.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9333    0.6356   -2.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0880   -0.3067   -0.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8882   -0.2332    2.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6641   -0.8835    2.2473 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  1  0
  5  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 13  1  0
 12  6  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  7 19  1  0
  8 20  1  0
 10 21  1  0
 11 22  1  0
 13 23  1  0
M  END