Molecule FYI-1010099

A

Molecule Summary:

ID: FYI-1010099
Names:
InChIKey: PKHFEGZZONAJBZ-OEVUFUAVSA-N
SMILES: CCCCC/C=C\\C=C\\C(=O)OC[C@H]3O[C@@H](O[C@@H]2[C@@H](CO)OC(c1c(O)cc(O)cc1CO)[C@H](O)[C@H]2OC(=O)/C(C)=C/C=C/CC(O)C(C)CC)[C@H](O)[C@@H](O)[C@H]3O

Received at FYIcenter.com on: 2024-05-28

Molecule ID: FYI-1010099 Edit

Molecule Structure InChIKey: PKHFEGZZONAJBZ-OEVUFUAVSA-N

Molecule Structure SMILES String: CCCCC/C=C\C=C\C(=O)OC[C@H]3O[C@@H](O[C@@H]2[C@@H](CO)OC(c1c(O)cc(O)cc1CO)[C@H](O)[C@H]2OC(=O)/C(C)=C/C=C/CC(O)C(C)CC)[C@H](O)[C@@H](O)[C@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010099
FYIcenter.com

 57 59  0  0  1  0  0  0  0  0999 V2000
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    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372   21.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248   23.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   16.8000    0.0000 O   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  1  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  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  6  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  6  0  0  0
 21 20  1  1  0  0  0
 22 21  1  0  0  0  0
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 26 21  1  0  0  0  0
 26 27  1  6  0  0  0
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 22 53  1  6  0  0  0
 54 53  1  0  0  0  0
 17 55  1  1  0  0  0
 16 56  1  6  0  0  0
 15 57  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010099-3D
FYIcenter.com

117119  0  0  1  0  0  0  0  0999 V2000
   17.5336   15.6209    7.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7146   16.4625    8.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1159   13.6563   11.1633 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5644    8.8180   -3.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7318    8.8241   -4.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8229    8.4762   -3.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0664   15.5028    5.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7232   14.4775    5.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6570   15.4005    6.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2111   17.6649    6.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6006   16.5253    8.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-06-03, 144👍, 0💬