Molecule FYI-1010373

A

Molecule Summary:

ID: FYI-1010373
Names:
InChIKey: VBCXVYMNXRSHQB-RHGYXRJGSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](COC(C)=O)O[C@@H](OC[C@@H](O)[C@@H](O)CO)[C@H]1OC(=O)C(C)C

Received at FYIcenter.com on: 2024-06-05

Molecule ID: FYI-1010373 Edit

Molecule Structure InChIKey: VBCXVYMNXRSHQB-RHGYXRJGSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](COC(C)=O)O[C@@H](OC[C@@H](O)[C@@H](O)CO)[C@H]1OC(=O)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010373
FYIcenter.com

 44 44  0  0  1  0  0  0  0  0999 V2000
   18.1865   25.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   25.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   23.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   23.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    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
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    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 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 16  1  0  0  0  0
 19 18  1  6  0  0  0
 20 19  1  0  0  0  0
 21 20  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
 24 19  1  0  0  0  0
 24 25  1  6  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 23 31  1  6  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 34 37  1  1  0  0  0
 33 38  1  6  0  0  0
 21 39  1  6  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 41  1  0  0  0  0
 20 44  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010373-3D
FYIcenter.com

102102  0  0  1  0  0  0  0  0999 V2000
   28.3196   -6.4034  -24.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3040   -4.9947  -24.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1858   -4.8334  -23.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1701   -3.4202  -22.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0498   -3.2728  -21.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0321   -1.8633  -21.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9103   -1.7277  -20.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8905   -0.3216  -19.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7687   -0.1871  -18.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7653    1.2220  -17.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6538    1.3953  -16.9142 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6922    2.8214  -16.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5936    3.0481  -15.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6722    4.4736  -14.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5370    4.7811  -13.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5074    3.8404  -12.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4444    3.1359  -12.3441 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2774    3.9060  -12.1034 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9468    3.2429  -10.8486 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.1433    1.7302  -10.8322 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2532    1.1412  -11.8016 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8496    1.1237   -9.4288 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4623   -0.2911   -9.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0282   -1.1701  -10.3748 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8058   -1.7345  -10.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4815   -2.5969  -11.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0535   -1.6195   -9.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3334    1.8909   -8.3093 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9868    3.2813   -8.3113 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.5041    3.9379   -7.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0706    5.3046   -7.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6817    5.9948   -5.8170 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2506    5.3322   -4.6297 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2144    6.0697   -5.8650 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.6568    6.8092   -7.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7493    6.7506   -4.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1646    6.7920   -4.5961 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4749    3.9827   -9.6153 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.9023    4.3027   -9.6151 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8405    3.3299   -9.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6021    2.1241   -9.5432 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2625    3.8182   -9.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4446    5.3132  -10.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1304    3.3094   -8.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1251   -6.5090  -25.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3716   -6.6343  -25.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.4789   -7.1390  -24.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1691   -4.2756  -25.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2710   -4.7778  -23.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3198   -5.5546  -22.4185 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2184   -5.0523  -23.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0312   -2.6939  -23.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1331   -3.1966  -22.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1858   -3.9965  -20.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0843   -3.4935  -22.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8926   -1.1354  -21.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9943   -1.6384  -20.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0489   -2.4530  -19.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9467   -1.9503  -20.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7516    0.4068  -20.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8530   -0.0958  -19.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9059   -0.9114  -17.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8043   -0.4063  -18.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6345    1.9428  -18.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7334    1.4378  -17.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7834    0.6837  -16.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6811    1.1849  -17.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5754    3.5243  -17.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6700    3.0176  -15.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7109    2.3139  -14.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6124    2.8704  -15.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6183    5.1801  -15.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6433    4.6323  -14.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5849    4.6965  -14.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6436    5.8062  -13.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8575    3.3877  -10.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1448    1.4612  -11.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3558    1.4865  -11.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7632    1.0306   -9.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2715   -0.7449   -8.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5532   -0.2290   -9.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1795   -2.4251  -12.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4757   -2.3575  -11.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5341   -3.6498  -11.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8922    3.3207   -8.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9774    5.3115   -6.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3685    5.8768   -7.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2823    7.0171   -5.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3899    4.3763   -4.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6424    5.0623   -5.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6312    7.7588   -6.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4284    6.2271   -3.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3984    7.7861   -4.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4845    5.8888   -4.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0083    4.9732   -9.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5895    3.3303  -10.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1139    5.8935   -9.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8860    5.6577  -10.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5019    5.5389  -10.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8566    3.7879   -7.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1873    3.5060   -8.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0132    2.2278   -8.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  2  3  1  0  0  0  0
  2 48  1  0  0  0  0
  2 49  1  0  0  0  0
  3  4  1  0  0  0  0
  3 50  1  0  0  0  0
  3 51  1  0  0  0  0
  4  5  1  0  0  0  0
  4 52  1  0  0  0  0
  4 53  1  0  0  0  0
  5  6  1  0  0  0  0
  5 54  1  0  0  0  0
  5 55  1  0  0  0  0
  6  7  1  0  0  0  0
  6 56  1  0  0  0  0
  6 57  1  0  0  0  0
  7  8  1  0  0  0  0
  7 58  1  0  0  0  0
  7 59  1  0  0  0  0
  8  9  1  0  0  0  0
  8 60  1  0  0  0  0
  8 61  1  0  0  0  0
  9 10  1  0  0  0  0
  9 62  1  0  0  0  0
  9 63  1  0  0  0  0
 10 11  1  0  0  0  0
 10 64  1  0  0  0  0
 10 65  1  0  0  0  0
 11 12  1  0  0  0  0
 11 66  1  0  0  0  0
 11 67  1  0  0  0  0
 12 13  1  0  0  0  0
 12 68  1  0  0  0  0
 12 69  1  0  0  0  0
 13 14  1  0  0  0  0
 13 70  1  0  0  0  0
 13 71  1  0  0  0  0
 14 15  1  0  0  0  0
 14 72  1  0  0  0  0
 14 73  1  0  0  0  0
 15 16  1  0  0  0  0
 15 74  1  0  0  0  0
 15 75  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 19 18  1  0  0  0  0
 19 76  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 77  1  6  0  0  0
 21 78  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 22 79  1  1  0  0  0
 23 24  1  0  0  0  0
 23 80  1  0  0  0  0
 23 81  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 82  1  0  0  0  0
 26 83  1  0  0  0  0
 26 84  1  0  0  0  0
 28 29  1  0  0  0  0
 29 38  1  0  0  0  0
 29 30  1  0  0  0  0
 29 85  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 86  1  0  0  0  0
 31 87  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 88  1  1  0  0  0
 33 89  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 90  1  6  0  0  0
 35 91  1  0  0  0  0
 36 37  1  0  0  0  0
 36 92  1  0  0  0  0
 36 93  1  0  0  0  0
 37 94  1  0  0  0  0
 38 39  1  0  0  0  0
 38 95  1  6  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 96  1  0  0  0  0
 43 97  1  0  0  0  0
 43 98  1  0  0  0  0
 43 99  1  0  0  0  0
 44100  1  0  0  0  0
 44101  1  0  0  0  0
 44102  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-30, 975👍, 0💬