Human Metabolome Database: Showing structure for HMDB0037654 (Ephedrannin A)

HMDB0037654
     RDKit          3D
Ephedrannin A
 61 67  0  0  0  0  0  0  0  0999 V2000
    2.3219    3.6222   -2.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2155    2.6826   -2.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3522    2.2092   -1.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5663    2.8272   -1.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2501    1.1830   -0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4065    0.6323    0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6311    1.2138    0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7140    0.6104    0.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5833   -0.6015    1.5005 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6924   -1.1391    2.1263 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3376   -1.2165    1.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2854   -0.6124    0.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524    0.6290   -0.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9959    1.0629   -0.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2127    0.4625   -0.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3827    0.8793   -1.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3342    1.9129   -2.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1629    2.5500   -2.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0600    3.5904   -3.3152 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0013    2.1099   -1.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5438    0.2262   -0.8209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7789   -0.3076    0.4924 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8811    0.4292    1.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8054    0.9986    2.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8624    1.6861    2.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0502    1.8229    2.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1478    2.5175    2.7710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1460    1.2642    0.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0828    0.5887    0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0673   -1.6917    0.3264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0678   -2.4166   -0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4392   -3.5855   -0.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4980   -4.3335   -1.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764   -5.5029   -2.2735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2128   -3.8847   -1.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1585   -2.7030   -0.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4743   -2.2761   -1.0158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7841   -1.9304   -0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3530   -0.6804    0.3577 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4963   -0.2638    1.2920 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5641   -1.1981    2.3142 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6423    3.5675   -2.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8413    2.1707   -0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6664    1.1085    0.9041 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7091   -2.0341    2.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2242   -2.1696    1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2952   -1.0777    0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2522    2.2369   -2.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9001    3.9208   -3.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8815    0.9029    2.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7894    2.1329    3.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1725    3.5252    2.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0529    1.3556    0.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1432    0.1352   -0.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4645   -3.9239   -0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8381   -5.8187   -2.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5623   -4.4570   -2.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1474   -2.8421   -1.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5836   -0.8272    0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909    0.7726    1.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1158   -2.0455    2.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  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
  5 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 16 21  1  0
 21 22  1  0
 22 23  1  1
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 22 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 20  2  1  0
 40 22  1  0
 12  6  1  0
 20 14  1  0
 29 23  1  0
 38 31  1  0
 39 15  1  0
  4 42  1  0
  7 43  1  0
  8 44  1  0
 10 45  1  0
 11 46  1  0
 12 47  1  0
 17 48  1  0
 19 49  1  0
 24 50  1  0
 25 51  1  0
 27 52  1  0
 28 53  1  0
 29 54  1  0
 32 55  1  0
 34 56  1  0
 35 57  1  0
 37 58  1  0
 39 59  1  1
 40 60  1  1
 41 61  1  0
M  END

Download:

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

Showing structure for HMDB0037654 (Ephedrannin A)

Structure for HMDB0037654 (Ephedrannin A)