Molecule Editor

Molecule ID: FYI-1006272 Edit

Molecule Structure InChIKey: GSOXMQLWUDQTNT-WAYWQWQTSA-N

Molecule Structure SMILES String: COc2ccc(/C=C\c1cc(OC)c(OC)c(OC)c1)c(OP(=O)(O)O)c2OP(=O)(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006272
FYIcenter.com

 54 55  0  0  0  0  0  0  0  0999 V2000
    5.1757   11.6176    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.3163    8.3157    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.6054   10.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7460    9.1411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7460    5.8392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0353    3.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7544    3.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8948    1.7119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7460   12.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0012   13.0473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8864    7.4902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4908    9.7454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3502   10.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1418    6.8859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0353    8.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6054    9.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1757    8.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8948    6.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4650    9.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0353    6.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1757    6.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8948    8.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6054    5.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3245    5.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4650    5.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4650    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3245    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8948    3.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7460    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0353    1.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1841    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3245    0.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4650   10.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9217    6.1529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7812    8.8275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6054    4.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2110    6.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5787    6.3510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7224    4.1883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7460    3.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7696    4.1883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0117    1.7119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0353    0.6883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0589    1.7119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6959    3.3019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0705    4.7001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6723    5.0748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8127    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2110    0.3746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8363    1.7730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7460   13.4666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4894   13.9338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672    9.7454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 13  2  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  2  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 21  1  0  0  0  0
  5 29  1  0  0  0  0
  6 26  1  0  0  0  0
  6 30  1  0  0  0  0
  7 27  1  0  0  0  0
  7 31  1  0  0  0  0
  8 28  1  0  0  0  0
  8 32  1  0  0  0  0
  9 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 54  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 24  2  0  0  0  0
 18 25  1  0  0  0  0
 19 22  2  0  0  0  0
 19 33  1  0  0  0  0
 20 23  2  0  0  0  0
 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 27  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 29 39  1  0  0  0  0
 29 40  1  0  0  0  0
 29 41  1  0  0  0  0
 30 42  1  0  0  0  0
 30 43  1  0  0  0  0
 30 44  1  0  0  0  0
 31 45  1  0  0  0  0
 31 46  1  0  0  0  0
 31 47  1  0  0  0  0
 32 48  1  0  0  0  0
 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006272-3D
FYIcenter.com

 54 55  0     0  0  0  0  0  0999 V2000
    1.3041    3.0685   -0.3880 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3533   -0.8966   -2.5690 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7772    1.5748   -0.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3412   -0.1436   -1.5330 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8114   -2.1111   -0.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9414    1.3234   -0.9474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4252   -2.7564    1.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9934   -1.4440   -0.8149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0907    3.6911   -1.2591 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4658    2.8480   -1.4915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7926   -0.2725   -3.9961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0899   -0.2156   -2.3053 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6912    3.8866    0.8097 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853   -2.3962   -2.5116 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4506    0.4857    1.9626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5003    0.6089    0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2920   -0.2615   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5723    0.7247    1.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6332    1.3821    2.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1924   -0.5077    2.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0339   -1.2549    0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.4928    2.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9841   -1.3780    1.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5968   -0.6682    1.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3613    1.3894    0.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1748    0.6615   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103   -1.3964    0.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1994   -0.7314    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5376   -3.0973    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3564    1.5789   -2.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4816   -3.4621    0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3214   -1.7228   -0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669    1.9888    3.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1634   -0.6169    3.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2235    2.2125    3.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321   -2.1249    2.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9983   -1.2006    2.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3464    2.4755    0.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1003   -3.6893   -0.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666   -3.7892    0.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2716   -2.6417    1.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4398    2.1677   -2.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1412    0.6390   -2.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0720    2.1507   -2.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6440   -3.2498   -0.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4591   -3.1922    0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -4.5334    0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3079   -2.3206    0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8758   -0.7937   -0.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8262   -2.2955   -1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190    4.6414   -1.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9776    3.6246   -1.8031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4032   -0.6445   -4.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8734   -0.5642   -2.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 13  2  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  2  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 21  1  0  0  0  0
  5 29  1  0  0  0  0
  6 26  1  0  0  0  0
  6 30  1  0  0  0  0
  7 27  1  0  0  0  0
  7 31  1  0  0  0  0
  8 28  1  0  0  0  0
  8 32  1  0  0  0  0
  9 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 54  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 24  2  0  0  0  0
 18 25  1  0  0  0  0
 19 22  2  0  0  0  0
 19 33  1  0  0  0  0
 20 23  2  0  0  0  0
 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 27  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 29 39  1  0  0  0  0
 29 40  1  0  0  0  0
 29 41  1  0  0  0  0
 30 42  1  0  0  0  0
 30 43  1  0  0  0  0
 30 44  1  0  0  0  0
 31 45  1  0  0  0  0
 31 46  1  0  0  0  0
 31 47  1  0  0  0  0
 32 48  1  0  0  0  0
 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  END
$$$$