Molecule Editor

Molecule ID: FYI-1010459 Edit

Molecule Structure InChIKey: RSNREMZVVGQMEH-BCTRXSSUSA-N

Molecule Structure SMILES String: CCCCC/C=C\C\C=C/CCCCCCCc3c(O)c(O)cc2OC(=O)C1(C(=O)C(O)=C(CCCCCCCCCCCCCCC)C1=O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1010459
FYIcenter.com

 51 53  0  0  0  0  0  0  0  0999 V2000
    0.0000   26.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807   25.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4272   24.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081   23.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546   22.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1354   21.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2819   20.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5626   19.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7092   18.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9900   17.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365   16.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4173   15.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5639   14.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8446   13.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9911   12.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2719   11.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5634   10.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9577   10.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6205    9.0568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5280   11.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4861   12.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6326   13.7853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5698   10.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5698    9.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7839    8.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9981    9.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9981   10.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7839   11.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4924   12.5872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0981   12.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3972   13.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2123    8.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7839    7.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3549    8.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3557    7.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1415    6.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1415    4.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9273    4.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9273    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7133    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7133    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4991    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    4.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4283    4.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4283    6.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6253    9.2768    0.0000 O   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 20  1  0  0  0  0
 31 30  2  0  0  0  0
 32 26  1  0  0  0  0
 33 25  1  0  0  0  0
 34 24  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 51 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010459-3D
FYIcenter.com

117119  0  0  1  0  0  0  0  0999 V2000
  -19.1103   12.8404   14.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6289   12.0475   13.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1546   12.3101   13.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6763   11.5071   12.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2003   11.7804   12.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6485   11.0151   10.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3738   11.1361   10.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3962   12.0637   11.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2458   11.3391   11.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0557   11.9296   11.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7983   13.3417   11.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3861   13.8050   11.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3837   12.9819   10.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9884   13.4663   11.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0194   12.5740   10.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5820   12.9615   10.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7521   12.0247    9.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2761   12.1923   10.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417   12.1903   11.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0597   11.8267   12.4238 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8057   12.5402   11.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5055   12.5102   12.3915 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4394   12.9723   10.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6943   12.9464    8.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0290   13.5501    7.6549 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1100   13.3598    6.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3664   14.0356    5.8061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8150   12.1542    7.3248 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1168   11.4907    6.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2267   11.9649    6.7384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9032    9.9616    6.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9111    9.0494    7.1069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6166    9.7391    7.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2501    9.3717    8.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0523    7.9398    8.8820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681    7.4936    8.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5221    6.0745    8.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7038    5.5015    7.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8689    4.0819    8.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0393    3.4334    7.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    2.0157    8.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3494    1.3498    7.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4951   -0.0723    7.9249 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6712   -0.7382    7.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8287   -2.1662    7.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0062   -2.8391    7.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1668   -4.2721    7.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3381   -4.9527    6.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0205   10.9904    6.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8983   11.0066    5.9128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5618   12.3792    8.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.1669   12.6332   15.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9970   13.9160   14.7818 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.5423   12.5736   15.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2259   12.3196   12.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7857   10.9784   13.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5571   12.0419   14.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9947   13.3809   13.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2608   11.7829   11.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8324   10.4364   12.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6329   11.5210   12.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0746   12.8554   11.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3041   10.3230   10.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0288   10.5545    9.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8490   12.6748   11.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0695   12.7598   10.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3854   10.3262   12.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2688   11.3665   12.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4899   14.0187   11.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9769   13.4342   10.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1749   13.7397   12.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2910   14.8585   11.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5796   13.0610    9.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4611   11.9164   11.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8084   13.4209   12.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8667   14.5077   10.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2197   12.6254    9.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1763   11.5294   10.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3697   12.8781   11.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4051   14.0086   10.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0747   12.2887    8.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0120   10.9739   10.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9438   11.4421   12.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8465   12.2369   13.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4693   13.3083   10.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7657    9.4970    6.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0628    9.6504    9.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6299    9.9566    8.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8186    7.3173    8.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2489    7.8435    9.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1355    8.1273    8.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0932    7.5505    7.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6288    5.4688    8.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7001    6.0404    9.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6055    6.0915    8.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5299    5.5223    6.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9515    3.5116    8.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228    4.0775    9.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9553    4.0023    7.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8811    3.4348    6.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    1.4551    7.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3255    2.0215    9.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667    1.9172    7.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1948    1.3522    6.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5734   -0.6335    7.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6463   -0.0695    9.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5872   -0.1681    7.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5140   -0.7318    6.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075   -2.7281    7.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9819   -2.1647    8.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9230   -2.2703    7.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8494   -2.8321    5.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2489   -4.8374    7.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3227   -4.2756    8.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1924   -4.9846    5.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4413   -5.9795    7.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2719   -4.4201    7.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  2  3  1  0  0  0  0
  2 55  1  0  0  0  0
  2 56  1  0  0  0  0
  3  4  1  0  0  0  0
  3 57  1  0  0  0  0
  3 58  1  0  0  0  0
  4  5  1  0  0  0  0
  4 59  1  0  0  0  0
  4 60  1  0  0  0  0
  5  6  1  0  0  0  0
  5 61  1  0  0  0  0
  5 62  1  0  0  0  0
  6  7  2  0  0  0  0
  6 63  1  0  0  0  0
  7  8  1  0  0  0  0
  7 64  1  0  0  0  0
  8  9  1  0  0  0  0
  8 65  1  0  0  0  0
  8 66  1  0  0  0  0
  9 10  2  0  0  0  0
  9 67  1  0  0  0  0
 10 11  1  0  0  0  0
 10 68  1  0  0  0  0
 11 12  1  0  0  0  0
 11 69  1  0  0  0  0
 11 70  1  0  0  0  0
 12 13  1  0  0  0  0
 12 71  1  0  0  0  0
 12 72  1  0  0  0  0
 13 14  1  0  0  0  0
 13 73  1  0  0  0  0
 13 74  1  0  0  0  0
 14 15  1  0  0  0  0
 14 75  1  0  0  0  0
 14 76  1  0  0  0  0
 15 16  1  0  0  0  0
 15 77  1  0  0  0  0
 15 78  1  0  0  0  0
 16 17  1  0  0  0  0
 16 79  1  0  0  0  0
 16 80  1  0  0  0  0
 17 18  1  0  0  0  0
 17 81  1  0  0  0  0
 17 82  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 83  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 84  1  0  0  0  0
 23 24  2  0  0  0  0
 23 85  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 86  1  0  0  0  0
 33 34  1  0  0  0  0
 33 49  1  0  0  0  0
 34 35  1  0  0  0  0
 34 87  1  0  0  0  0
 34 88  1  0  0  0  0
 35 36  1  0  0  0  0
 35 89  1  0  0  0  0
 35 90  1  0  0  0  0
 36 37  1  0  0  0  0
 36 91  1  0  0  0  0
 36 92  1  0  0  0  0
 37 38  1  0  0  0  0
 37 93  1  0  0  0  0
 37 94  1  0  0  0  0
 38 39  1  0  0  0  0
 38 95  1  0  0  0  0
 38 96  1  0  0  0  0
 39 40  1  0  0  0  0
 39 97  1  0  0  0  0
 39 98  1  0  0  0  0
 40 41  1  0  0  0  0
 40 99  1  0  0  0  0
 40100  1  0  0  0  0
 41 42  1  0  0  0  0
 41101  1  0  0  0  0
 41102  1  0  0  0  0
 42 43  1  0  0  0  0
 42103  1  0  0  0  0
 42104  1  0  0  0  0
 43 44  1  0  0  0  0
 43105  1  0  0  0  0
 43106  1  0  0  0  0
 44 45  1  0  0  0  0
 44107  1  0  0  0  0
 44108  1  0  0  0  0
 45 46  1  0  0  0  0
 45109  1  0  0  0  0
 45110  1  0  0  0  0
 46 47  1  0  0  0  0
 46111  1  0  0  0  0
 46112  1  0  0  0  0
 47 48  1  0  0  0  0
 47113  1  0  0  0  0
 47114  1  0  0  0  0
 48115  1  0  0  0  0
 48116  1  0  0  0  0
 48117  1  0  0  0  0
 49 50  2  0  0  0  0
M  END
$$$$