Molecule FYI-1010199

A

Molecule Summary:

ID: FYI-1010199
Names:
InChIKey: XXLILNVFRASZGT-SPGKEBDDSA-N
SMILES: CCCCC/C=C\\C\\C=C/CCCCCCCC(=O)O[C@H]4CC[C@@]3(C)[C@@H](CC=C2[C@@H]1CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]1(C)CC[C@@H]23)C4

Received at FYIcenter.com on: 2024-06-02

Molecule ID: FYI-1010199 Edit

Molecule Structure InChIKey: XXLILNVFRASZGT-SPGKEBDDSA-N

Molecule Structure SMILES String: CCCCC/C=C\C\C=C/CCCCCCCC(=O)O[C@H]4CC[C@@]3(C)[C@@H](CC=C2[C@@H]1CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]1(C)CC[C@@H]23)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1010199
FYIcenter.com

 48 51  0  0  1  0  0  0  0  0999 V2000
   20.1075   20.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3200   19.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3200   18.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5324   17.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5324   15.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7449   15.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7449   13.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5324   13.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5324   11.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3200   11.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1075   11.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8951   11.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6827   11.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4702   11.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2578   11.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0454   11.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8329   11.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6205   11.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6205    9.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4080   11.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1956   11.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1956    9.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    8.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    9.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    8.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    7.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    6.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    7.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    8.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    9.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459   11.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584   11.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708   11.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833   11.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    9.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791    8.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    7.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    5.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1797    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3777    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9871    6.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    8.2482    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  2  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  1  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
 25 26  1  1  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  1  0  0  0
 33 24  1  0  0  0  0
 34 33  1  0  0  0  0
 34 21  1  0  0  0  0
 29 35  1  1  0  0  0
 36 35  1  0  0  0  0
 37 36  1  1  0  0  0
 37 28  1  0  0  0  0
 38 37  1  0  0  0  0
 38 39  1  1  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 42 43  1  6  0  0  0
 44 42  1  0  0  0  0
 45 44  1  0  0  0  0
 46 44  1  0  0  0  0
 28 47  1  1  0  0  0
 24 48  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-07-11, 422👍, 0💬