Molecule Editor

Molecule ID: FYI-1013169 Edit

Molecule Structure InChIKey: STRVVCRJZIOUJK-MRTLOADZSA-N

Molecule Structure SMILES String: CCCCCC[C@@H](O)CCC(O)CCCCCCCC(=O)OCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1013169
FYIcenter.com

 25 24  0  0  1  0  0  0  0  0999 V2000
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    3.5000    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 10  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  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
  7 25  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013169-3D
FYIcenter.com

 65 64  0  0  1  0  0  0  0  0999 V2000
    0.8380    0.1088    0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3568    0.1066    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8898   -1.1295   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4147   -1.1417   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9235   -2.3832   -1.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4478   -2.4055   -1.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687   -3.6433   -2.1933 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4938   -3.6478   -3.5399 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4960   -3.6600   -2.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0498   -4.9020   -2.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5766   -4.9155   -2.8531 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0446   -4.9264   -1.5053 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1004   -6.1360   -3.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6238   -6.1738   -3.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1240   -7.3969   -4.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6455   -7.4321   -4.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1747   -8.6540   -5.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6972   -8.6595   -5.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2910   -9.8682   -5.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7990   -9.7768   -5.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4359   -8.8439   -5.3321 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3208  -10.8045   -6.5266 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6522  -10.5912   -7.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7224  -10.7057   -5.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6164  -11.9673   -5.3272 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4654    0.9982    0.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4530   -0.7749    0.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4366    0.1102   -0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7323    0.1329    1.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7164    1.0125   -0.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5089   -1.1536   -1.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5233   -2.0341   -0.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8034   -1.1242    0.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7872   -0.2416   -1.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5251   -2.3972   -2.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5550   -3.2850   -0.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8413   -2.3841   -0.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8046   -1.5008   -1.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5861   -4.5483   -1.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7822   -2.8190   -3.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8487   -3.6237   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8823   -2.7690   -2.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6987   -4.9368   -3.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6642   -5.7940   -2.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9585   -4.0012   -3.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8584   -5.8000   -1.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7245   -6.1229   -4.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7268   -7.0524   -3.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0071   -6.2006   -2.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0122   -5.2603   -4.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7550   -7.3714   -5.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7296   -8.3085   -3.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0075   -7.4463   -3.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0359   -6.5175   -4.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8253   -8.6352   -6.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7850   -9.5695   -4.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0409   -8.6473   -4.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0700   -7.7359   -5.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9522   -9.8700   -6.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782  -10.7980   -5.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6911   -9.6158   -7.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8009  -11.3649   -7.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6087   -9.9460   -5.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7197  -10.5993   -6.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6876  -12.0632   -5.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 39  1  1  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 43  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 17  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 18  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 20  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 25  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 65  1  0  0  0  0
M  END
$$$$