Molecule FYI-1010314

A
Molecule Summary:
ID: FYI-1010314
Names:
InChIKey: BQBQRISTBZWETD-PDEMIJLMSA-N
SMILES: CCC4C(C)OC(OC)(C(C)C(O)C(C)C3OC(=O)/C=C\\C=C/C(C)C(C(C)C(O)C(C)C2(OC)CC(OC1CC(O)C(O)C(C)O1)C(CC)C(C)O2)OC(=O)/C=C\\C=C/C3C)CC4OC5CC(O)C(O)C(C)O5
Received at FYIcenter.com on: 2024-06-05
Molecule ID: FYI-1010314 Edit
Molecule Structure InChIKey: BQBQRISTBZWETD-PDEMIJLMSA-N
Molecule Structure SMILES String: CCC4C(C)OC(OC)(C(C)C(O)C(C)C3OC(=O)/C=C\C=C/C(C)C(C(C)C(O)C(C)C2(OC)CC(OC1CC(O)C(O)C(C)O1)C(CC)C(C)O2)OC(=O)/C=C\C=C/C3C)CC4OC5CC(O)C(O)C(C)O5
Download SDF Download SVG Structure in 2D SDF:
FYI-1010314
FYIcenter.com

 74 78  0  0  0  0  0  0  0  0999 V2000
   17.1266    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1266    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9142    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9142    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7018    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4894    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4894    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7018    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7018    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4894    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4894    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2769    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0645    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0645    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2769    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2769    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4894    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7018    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2769    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2769   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4894   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0645   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5145   13.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4230   14.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8037   15.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7512   16.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4255   17.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0285   17.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6661   18.5122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7728   16.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   15.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3997   14.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4913   12.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1105   11.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1631   10.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888   10.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8858   10.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2481    8.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1414   10.8475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0117   14.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   16.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   15.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   17.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   18.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   17.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   19.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   20.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   21.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   22.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   21.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   20.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   23.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   24.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   22.4881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   23.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   24.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   25.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   26.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   25.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   24.5881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   26.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   28.0881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   26.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   18.9881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   19.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   18.2881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9025   13.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0645    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2769    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0645    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1266    8.4000    0.0000 C   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
  8  3  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
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  1  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 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  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  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 41 39  1  0  0  0  0
 41 24  1  0  0  0  0
 42 34  1  0  0  0  0
 43 33  1  0  0  0  0
 44 43  1  0  0  0  0
 45 43  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 46  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 53 48  1  0  0  0  0
 54 52  1  0  0  0  0
 55 51  1  0  0  0  0
 56 55  1  0  0  0  0
 57 50  1  0  0  0  0
 58 57  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  1  0  0  0  0
 62 61  1  0  0  0  0
 63 62  1  0  0  0  0
 63 58  1  0  0  0  0
 64 62  1  0  0  0  0
 65 61  1  0  0  0  0
 66 60  1  0  0  0  0
 67 48  1  0  0  0  0
 68 67  1  0  0  0  0
 69 45  1  0  0  0  0
 70 25  1  0  0  0  0
 71 21  1  0  0  0  0
 72  6  1  0  0  0  0
 73 72  1  0  0  0  0
 74  4  1  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2024-07-11, 753👍, 0💬