Molecule FYI-1012463

A

Molecule Summary:

ID: FYI-1012463
Names:
InChIKey: WOPQXPLNKSFIBX-PUTJHYSESA-N
SMILES: CC/C=C\\C\\C=C/C/C=C\\CCCCCCCCCCCC(=O)OCC5O[C@@H](O[C@H]4CC[C@@]1(C)C(=CC[C@@H]2[C@@H]1CC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)CC[C@@H]23)C4)C(O)C(O)[C@@H]5O

Received at FYIcenter.com on: 2024-09-05

Molecule ID: FYI-1012463 Edit

Molecule Structure InChIKey: WOPQXPLNKSFIBX-PUTJHYSESA-N

Molecule Structure SMILES String: CC/C=C\C\C=C/C/C=C\CCCCCCCCCCCC(=O)OCC5O[C@@H](O[C@H]4CC[C@@]1(C)C(=CC[C@@H]2[C@@H]1CC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)CC[C@@H]23)C4)C(O)C(O)[C@@H]5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012463
FYIcenter.com

 64 68  0  0  1  0  0  0  0  0999 V2000
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    9.6995    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7781    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1705    0.0000    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
  3  2  1  0  0  0  0
  4  3  2  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
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 40 60  1  1  0  0  0
 36 61  1  1  0  0  0
 62 29  1  0  0  0  0
 63 28  1  0  0  0  0
 27 64  1  6  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-09-28, 935👍, 0💬