Molecule FYI-1012097

A

Molecule Summary:

ID: FYI-1012097
Names:
InChIKey: DTMJARJUCFBMFR-ZHGMGIEYSA-N
SMILES: CC3(C)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)CC[C@@]4(C)[C@H]3CC[C@]7(C)[C@@H]4C(=O)C=C6[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]67C

Received at FYIcenter.com on: 2024-08-15

Molecule ID: FYI-1012097 Edit

Molecule Structure InChIKey: DTMJARJUCFBMFR-ZHGMGIEYSA-N

Molecule Structure SMILES String: CC3(C)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)CC[C@@]4(C)[C@H]3CC[C@]7(C)[C@@H]4C(=O)C=C6[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]67C

Download SDF Download SVG Structure in 2D SDF:

FYI-1012097
FYIcenter.com

 55 61  0  0  1  0  0  0  0  0999 V2000
   12.0693    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0693    1.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2762    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4832    1.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4832    2.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2762    3.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0693    2.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8624    3.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8624    4.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6555    2.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8624    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6208    7.6650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8278    9.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8278   11.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208   11.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139   11.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    9.7554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070   11.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070   13.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.1491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208   13.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347   11.8459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347    9.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2416    9.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4485    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6555    9.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6555   11.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4485   11.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2416   11.1491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8624   11.8459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8624    9.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4485    7.6650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4485    6.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6901    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6901    3.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6901    4.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8970    2.7873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
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  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
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 12 10  1  1  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 22  8  1  0  0  0  0
 23 22  1  0  0  0  0
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 22 25  1  6  0  0  0
 21 26  1  1  0  0  0
 27 17  1  0  0  0  0
 28 17  1  0  0  0  0
 16 29  1  1  0  0  0
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 43 50  1  1  0  0  0
 13 51  1  1  0  0  0
  5 52  1  6  0  0  0
 53  5  1  0  0  0  0
 54 53  2  0  0  0  0
 55 53  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-09-12, 711👍, 0💬