Molecule FYI-1011762

A

Molecule Summary:

ID: FYI-1011762
Names:
InChIKey: PJXRZWXBCYISPA-VAWYXSNFSA-N
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC2(O)C(O)C(COC1OC(CO)C(O)C(O)C1O)OC(OCCC)C2(O)O

Received at FYIcenter.com on: 2024-08-11

Molecule ID: FYI-1011762 Edit

Molecule Structure InChIKey: PJXRZWXBCYISPA-VAWYXSNFSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C/CCCCCCCC(=O)OC2(O)C(O)C(COC1OC(CO)C(O)C(O)C1O)OC(OCCC)C2(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011762
FYIcenter.com

 47 48  0  0  0  0  0  0  0  0999 V2000
   20.6115   25.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991   25.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991   23.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   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
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   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
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    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
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    0.0000 C   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
    2.4249    8.4000    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
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    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  2  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  1  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
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 25  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 23  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
 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
 40 35  1  0  0  0  0
 41 39  1  0  0  0  0
 42 41  1  0  0  0  0
 43 38  1  0  0  0  0
 44 37  1  0  0  0  0
 45 36  1  0  0  0  0
 46 22  1  0  0  0  0
 47 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011762-3D
FYIcenter.com

107108  0  0  1  0  0  0  0  0999 V2000
   -0.9785  -12.4550   -6.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0269  -12.8986   -5.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3407  -12.2400   -5.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2998  -12.6841   -4.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6639  -12.0202   -4.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6208  -12.4641   -3.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9845  -11.8017   -3.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9361  -12.2470   -2.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2714  -11.5969   -2.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4014  -12.2855   -2.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7337  -11.6353   -3.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6903  -12.0761   -1.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0509  -11.4116   -2.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9954  -11.8579   -1.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3602  -11.2018   -1.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2881  -11.6537   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6134  -10.9404   -0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6318  -11.3680    0.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0407  -10.6447    1.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1837  -12.5467    0.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6368  -12.6422    0.6754 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.0958  -12.2783    1.9797 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2669  -11.7130   -0.3897 C   0  0  3  0  0  0  0  0  0  0  0  0
   22.7129  -11.6373   -0.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7436  -12.2009   -1.7398 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.3121  -11.2852   -2.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6521  -11.5721   -4.0535 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1948  -10.8123   -5.1312 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.8702   -9.4253   -5.0241 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496   -9.1981   -4.9666 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.2069   -7.7085   -4.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7113   -7.3071   -3.4213 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8290   -9.6667   -6.2863 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.3980   -8.9471   -7.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1125  -11.1639   -6.4844 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.5676  -11.5895   -7.7349 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6257  -11.4466   -6.4141 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.8747  -12.8609   -6.3862 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1138  -13.5691   -1.9737 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6056  -14.5298   -1.0262 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.2244  -15.7808   -1.3635 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7018  -16.8847   -0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2809  -18.2135   -1.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7610  -19.3079   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0250  -14.1192    0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4570  -14.1986    0.5498 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4646  -14.9103    1.4937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9556  -12.9345   -6.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5916  -12.7269   -7.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1256  -11.3703   -6.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0784  -13.9894   -5.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4529  -12.6402   -4.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2304  -11.1491   -5.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7618  -12.4978   -6.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153  -13.7745   -4.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8825  -12.4266   -3.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5509  -10.9295   -4.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0840  -12.2779   -5.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7356  -13.5546   -3.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023  -12.2066   -2.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8697  -10.7100   -3.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4038  -12.0600   -4.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0276  -13.3405   -2.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5325  -11.9667   -1.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3016  -10.5115   -2.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3697  -13.3716   -2.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6406  -10.5424   -3.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1317  -11.9182   -4.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8084  -13.1674   -1.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2763  -11.8169   -0.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9372  -10.3209   -2.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4714  -11.6736   -3.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1078  -12.9482   -1.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5656  -11.5990   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2519  -10.1099   -1.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7990  -11.4607   -2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4271  -12.7415   -0.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8355  -11.4343    0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4805   -9.8561   -0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0340  -11.0872   -1.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4819  -11.5589    2.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9336  -10.6824   -0.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0231  -12.4794   -0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6554  -12.1667   -1.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3901  -11.4320   -2.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1112  -10.2381   -2.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2864  -10.9207   -5.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0317   -9.7590   -4.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1340   -7.4928   -4.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6909   -7.0775   -5.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7886   -8.0844   -2.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7500   -9.4828   -6.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3293   -8.7495   -7.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5926  -11.7449   -5.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8819  -10.9488   -8.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1243  -11.0421   -7.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5339  -13.1854   -5.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5179  -14.6094   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6080  -16.8991   -0.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0032  -16.7891    0.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3749  -18.1720   -1.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0153  -18.4218   -2.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0191  -19.0901    0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1902  -20.2771   -0.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6690  -19.3816   -0.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7323  -14.8827   -0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7634  -15.4894    1.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 48  1  0  0  0  0
  1 49  1  0  0  0  0
  1 50  1  0  0  0  0
  2  3  1  0  0  0  0
  2 51  1  0  0  0  0
  2 52  1  0  0  0  0
  3  4  1  0  0  0  0
  3 53  1  0  0  0  0
  3 54  1  0  0  0  0
  4  5  1  0  0  0  0
  4 55  1  0  0  0  0
  4 56  1  0  0  0  0
  5  6  1  0  0  0  0
  5 57  1  0  0  0  0
  5 58  1  0  0  0  0
  6  7  1  0  0  0  0
  6 59  1  0  0  0  0
  6 60  1  0  0  0  0
  7  8  1  0  0  0  0
  7 61  1  0  0  0  0
  7 62  1  0  0  0  0
  8  9  1  0  0  0  0
  8 63  1  0  0  0  0
  8 64  1  0  0  0  0
  9 10  2  0  0  0  0
  9 65  1  0  0  0  0
 10 11  1  0  0  0  0
 10 66  1  0  0  0  0
 11 12  1  0  0  0  0
 11 67  1  0  0  0  0
 11 68  1  0  0  0  0
 12 13  1  0  0  0  0
 12 69  1  0  0  0  0
 12 70  1  0  0  0  0
 13 14  1  0  0  0  0
 13 71  1  0  0  0  0
 13 72  1  0  0  0  0
 14 15  1  0  0  0  0
 14 73  1  0  0  0  0
 14 74  1  0  0  0  0
 15 16  1  0  0  0  0
 15 75  1  0  0  0  0
 15 76  1  0  0  0  0
 16 17  1  0  0  0  0
 16 77  1  0  0  0  0
 16 78  1  0  0  0  0
 17 18  1  0  0  0  0
 17 79  1  0  0  0  0
 17 80  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 45  1  0  0  0  0
 22 81  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 82  1  0  0  0  0
 24 83  1  0  0  0  0
 25 26  1  0  0  0  0
 25 39  1  0  0  0  0
 25 84  1  0  0  0  0
 26 27  1  0  0  0  0
 26 85  1  0  0  0  0
 26 86  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 37  1  0  0  0  0
 28 87  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  1  0  0  0  0
 30 88  1  0  0  0  0
 31 32  1  0  0  0  0
 31 89  1  0  0  0  0
 31 90  1  0  0  0  0
 32 91  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 92  1  0  0  0  0
 34 93  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 94  1  0  0  0  0
 36 95  1  0  0  0  0
 37 38  1  0  0  0  0
 37 96  1  0  0  0  0
 38 97  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 45  1  0  0  0  0
 40 98  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 99  1  0  0  0  0
 42100  1  0  0  0  0
 43 44  1  0  0  0  0
 43101  1  0  0  0  0
 43102  1  0  0  0  0
 44103  1  0  0  0  0
 44104  1  0  0  0  0
 44105  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46106  1  0  0  0  0
 47107  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 859👍, 0💬