Molecule FYI-1010874

A

Molecule Summary:

ID: FYI-1010874
Names:
InChIKey: FMXJJPHNGGRBTC-ZFYDLYRZSA-N
SMILES: CC[C@@H]3/C=C(C)\\C[C@H](C)C[C@H](OC)[C@H]4O[C@@](O)(C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)[C@H](C)[C@@H](O)CC3=O)[C@H](C)C[C@@H]4C

Received at FYIcenter.com on: 2024-07-16

Molecule ID: FYI-1010874 Edit

Molecule Structure InChIKey: FMXJJPHNGGRBTC-ZFYDLYRZSA-N

Molecule Structure SMILES String: CC[C@@H]3/C=C(C)\C[C@H](C)C[C@H](OC)[C@H]4O[C@@](O)(C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)[C@H](C)[C@@H](O)CC3=O)[C@H](C)C[C@@H]4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010874
FYIcenter.com

 55 58  0  0  1  0  0  0  0  0999 V2000
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   13.8854    1.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2825    2.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4307    3.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2973    4.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8049    6.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9089    7.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5995    8.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9046   10.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8114   11.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2211   12.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2758   13.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5295   11.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5295    8.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6100    7.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2241    7.6478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7138    6.1581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2217    4.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0882    3.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2365    2.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5646    2.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9544    2.5852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1614    1.2109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    1.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1429    2.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0181    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8144    4.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    4.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2036    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    0.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0181    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5446   13.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9755   14.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5760   13.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0401   10.9040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3019   10.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2948    7.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5008    4.1694    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  1  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 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
 10 15  1  1  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  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
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 25 24  1  0  0  0  0
 25 20  1  6  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
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 33  3  1  0  0  0  0
 34 33  2  0  0  0  0
 31 35  1  6  0  0  0
 30 36  1  1  0  0  0
 29 37  1  1  0  0  0
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 42 47  1  6  0  0  0
 48 37  1  0  0  0  0
 14 49  1  6  0  0  0
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 11 51  1  6  0  0  0
  9 52  1  1  0  0  0
 53 52  1  0  0  0  0
  7 54  1  1  0  0  0
 55  5  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-07-25, 929👍, 0💬