Molecule FYI-1007257

A

Molecule Summary:

ID: FYI-1007257
Names:
InChIKey: LSJLXQGMLIVUSY-NSCUHMNNSA-N
SMILES: CC14NCC2=C3C5CC1C6=C(/C=C/OO)C2(O)C(ONC34CO)C5O6

Received at FYIcenter.com on: 2024-02-13

Molecule ID: FYI-1007257 Edit

Molecule Structure InChIKey: LSJLXQGMLIVUSY-NSCUHMNNSA-N

Molecule Structure SMILES String: CC14NCC2=C3C5CC1C6=C(/C=C/OO)C2(O)C(ONC34CO)C5O6

Download SDF Download SVG Structure in 2D SDF:

FYI-1007257
FYIcenter.com

 25 30  0  0  0  0  0  0  0  0999 V2000
    8.8189    3.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7651    2.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3345    3.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2066    4.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5093    3.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9461    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5143    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8598    0.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3394    1.4459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6581    1.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7603    5.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6201    5.5019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9975    4.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9579    2.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1335    1.6526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1842    0.9209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3522    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9718    4.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  9  2  1  0  0  0  0
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 14 13  1  0  0  0  0
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 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
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 17 16  1  0  0  0  0
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 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007257-3D
FYIcenter.com

 45 50  0  0  1  0  0  0  0  0999 V2000
    9.5241    2.2600   -0.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0469    1.8708   -0.6151 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5728    2.7003    0.5410 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3550    2.0594    1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8237    1.2456   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6446    0.5274   -0.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5807    0.1821   -2.4228 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4547    1.2524   -3.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1660    2.4447   -2.1312 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4383    2.6588   -2.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4999    2.7061   -1.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1302    3.2096   -1.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003    4.0053   -2.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816    4.3808   -2.2893 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9720    5.1426   -3.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4700    1.3900   -0.5336 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6030    1.3493    0.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3868    0.0829   -1.3809 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0526   -1.1458   -0.6641 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4960   -1.0389    0.1684 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7765    0.1104   -0.2293 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9268   -0.8727   -0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2322   -0.3729   -0.2725 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1174    0.3568   -2.7392 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9518    1.7049   -3.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0505    1.6109   -1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9109   -0.8426   -2.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1965    1.4494   -4.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6424    3.3726   -2.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4432    2.9080   -0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8864   -1.3115   -1.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3146   -0.2095    0.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8016   -0.3598   -3.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  2  3  0  0  0
 10 25  1  0  0  0  0
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 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 15 38  1  0  0  0  0
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 19 20  1  0  0  0  0
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 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
M  END
$$$$

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2024-02-18, 189👍, 0💬