Molecule Editor

Molecule ID: FYI-1016429 Edit

Molecule Structure InChIKey: MNYYCWDTJBJERS-AWEZNQCLSA-N

Molecule Structure SMILES String: COc3cc2CC4c1c(cc(OC)c(OC)c1c2cc3O)CCN4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016429
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 10  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21  5  1  0  0  0  0
 20 22  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 25 18  1  0  0  0  0
 20 26  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016429-3D
FYIcenter.com

 48 51  0     1  0  0  0  0  0999 V2000
   -0.6861    2.8119   -0.2056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3695    2.7885   -0.2332 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0796    0.0715    0.0839 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8296    2.4492    0.7837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4032   -3.3246   -0.1915 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5770   -2.1546    0.2050 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3196   -0.8219    0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339   -2.0846   -0.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7272   -0.7994    0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7045   -3.2732    0.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5805    0.3885    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5145   -2.0799   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5536   -0.8702   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8990    0.3397    0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944    1.5965   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4019    0.4212   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7480   -4.5988    0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883    1.6129   -0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9549   -0.9455   -0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981    1.4439    0.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7214    0.1659    0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0933    1.3576    0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447    3.2552   -1.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7451    3.4387    0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6409   -1.1886   -0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3244   -2.2434    1.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5228   -2.0385   -1.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3386   -2.9795   -0.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5698   -3.2174    1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2869   -4.1801    0.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4093   -1.9762    0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8468   -2.2641   -1.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4876    0.4393   -0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4723   -4.6721    1.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4082   -5.4409   -0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1475   -4.7501   -0.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -1.9024   -0.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2669    2.3790    0.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1757    4.1546   -1.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0888    2.4950   -2.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3857    3.5092   -2.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2304    3.1882    0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2695    4.3635    0.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4196    2.8033    1.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8603    3.6907    1.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7297   -1.0815   -0.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3680   -1.9735    0.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3935   -1.4577   -1.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 23  1  0  0  0  0
  2 18  1  0  0  0  0
  2 24  1  0  0  0  0
  3 21  1  0  0  0  0
  3 25  1  0  0  0  0
  4 22  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  2  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 18  2  0  0  0  0
 16 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
M  END
$$$$