HMDB0249004
     RDKit          3D
Benzo[b]thiophene-2-carboxylic acid
 18 19  0  0  0  0  0  0  0  0999 V2000
    4.0888    1.2711   -0.1511 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3632    0.2585   -0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606   -0.9764   -0.2278 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9048    0.3359   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9798   -0.6679   -0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3193   -0.3122   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4374   -1.1602   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6998   -0.6776   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9914    0.6641    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9154    1.5246    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6048    1.0213   -0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9456    1.7422   -0.0463 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3055   -1.3113   -1.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3554   -1.7159   -0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3356   -2.2521   -0.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5591   -1.3621   -0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0046    1.0232    0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0364    2.5947    0.0677 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  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  4  1  0
 11  6  1  0
  3 13  1  0
  5 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
M  END