Molecule FYI-1005489

A

Molecule Summary:

ID: FYI-1005489
Names:
InChIKey: MMSHVEARMHXEJT-RDVFMTQNSA-N
SMILES: CC4=C3C[C@H]2[C@@H](CC=C1C=CCC[C@@]12C)[C@@H]3CC[C@]46O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C.O=C(O)C(F)(F)F

Received at FYIcenter.com on: 2023-10-31

Molecule ID: FYI-1005489 Edit

Molecule Structure InChIKey: MMSHVEARMHXEJT-RDVFMTQNSA-N

Molecule Structure SMILES String: CC4=C3C[C@H]2[C@@H](CC=C1C=CCC[C@@]12C)[C@@H]3CC[C@]46O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C.O=C(O)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1005489
FYIcenter.com

 36 40  0  0  1  0  0  0  0  0999 V2000
    4.8107    3.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381    2.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657    1.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2515    0.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6099    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5825    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1965    2.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5072    2.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213    3.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0938    4.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4523    4.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1941    5.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942    6.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4891    7.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7872    8.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3859    8.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    9.2026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789   10.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2407   11.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7163   12.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5783   14.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3300   13.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680   12.0743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9925   10.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    9.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0878    8.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8929    6.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9961    5.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8965    7.5692    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7165    5.4687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1046    5.0476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0321    5.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5183    8.7049    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6540    7.0830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2753    7.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 16 17  1  6  0  0  0
 18 17  1  1  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  1  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 18  1  0  0  0  0
 24 23  1  6  0  0  0
 25 24  1  0  0  0  0
 25 16  1  0  0  0  0
 25 26  1  6  0  0  0
 27 16  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  6  0  0  0
 29 10  1  0  0  0  0
 29 13  1  0  0  0  0
 30 36  1  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 33 36  1  0  0  0  0
 34 36  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-11-06, 1060👍, 0💬