Molecule Editor

Molecule ID: FYI-1006079 Edit

Molecule Structure InChIKey: CXCYCFDGKJSNIJ-DKNZHKMCSA-N

Molecule Structure SMILES String: CN1C2CC(CC1C3C2O3)OC(=O)CC4=CC=CC=C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006079
FYIcenter.com

 39 42  0     1  0  0  0  0  0999 V2000
    2.0000   -1.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728   -1.2441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8210    0.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8802    1.1286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9853   -1.4120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6433   -0.4723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3580   -0.8200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6168    0.1460    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6297   -1.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0485   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4068   -0.9853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3802    1.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0799   -0.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0458   -0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7529   -0.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4941    0.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7188   -0.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2012    1.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4259    0.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1671    1.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1973   -1.9946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    0.1103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1380   -1.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8368    0.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2451   -2.1009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706   -2.0505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0294    0.5680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8217   -0.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9171    2.3046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0702    2.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8433    1.6846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7838   -1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5537   -1.1514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8952    1.0377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8793   -0.9464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0407    2.1832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0248    0.1991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6055    1.7639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  6  1  1  1  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  1  0  0  0
  8 10  1  0  0  0  0
  8 24  1  6  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  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
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006079-3D
FYIcenter.com

 39 42  0     1  0  0  0  0  0999 V2000
    4.8234    1.5825   -0.5220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0348   -1.0487   -0.1194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1820    0.9099   -0.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -0.7477    0.6067 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8128    0.8144   -1.1825 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5258    1.5373    0.0794 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7146   -0.6560   -0.8575 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2646    0.4780    1.1220 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2640   -1.1443   -1.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7638    0.1166    1.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2429   -0.3089   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3070   -0.9027    1.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1185   -0.3090   -0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992   -1.2392    0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6213   -0.5162    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1740   -0.0675    1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2923   -0.2957   -1.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3979    0.6017    1.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5162    0.3734   -1.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0690    0.8221    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4150    1.1468   -2.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9090    2.4201    0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4166   -1.2681   -1.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090    0.7672    2.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935   -1.1027   -2.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839   -2.2018   -0.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5835   -0.6909    1.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1751    0.9720    1.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0587    0.5993   -0.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3708   -0.9819    2.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9682   -0.0915    0.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7106   -1.8380    0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2773   -1.9645   -0.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1882   -1.7982    0.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6597   -0.2315    2.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8710   -0.6386   -2.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8281    0.9515    2.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0386    0.5457   -2.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0218    1.3434    0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  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
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
$$$$