Molecule FYI-1012779

A

Molecule Summary:

ID: FYI-1012779
Names:
InChIKey: WWFHQTXLMHPBRD-HPBLEIHVSA-N
SMILES: COC(=O)[C@@H](O)[C@H]5[C@@]1(C)C[C@@]6(OC(C)=O)[C@@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@]4(O)[C@@H]3CC(=O)O[C@@H](c2ccoc2)[C@]3(C)[C@@H](OC(C)=O)C[C@@H]4[C@@]56C

Received at FYIcenter.com on: 2024-10-21

Molecule ID: FYI-1012779 Edit

Molecule Structure InChIKey: WWFHQTXLMHPBRD-HPBLEIHVSA-N

Molecule Structure SMILES String: COC(=O)[C@@H](O)[C@H]5[C@@]1(C)C[C@@]6(OC(C)=O)[C@@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@]4(O)[C@@H]3CC(=O)O[C@@H](c2ccoc2)[C@]3(C)[C@@H](OC(C)=O)C[C@@H]4[C@@]56C

Download SDF Download SVG Structure in 2D SDF:

FYI-1012779
FYIcenter.com

 50 55  0  0  1  0  0  0  0  0999 V2000
   12.6043    1.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4195    2.0522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2347    1.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2347    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0498    2.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0498    3.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1566    4.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2270    3.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7338    5.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3657    5.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9430    4.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0349    3.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5549    7.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9017    6.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7878    6.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8946    5.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2130    6.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1885    5.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8455    4.0408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5070    5.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1712    8.7889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3565    9.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5408    8.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3577   10.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917    8.2628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0133    9.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9351    9.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252   11.3017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    9.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    8.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2083    7.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0479    8.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128    6.1430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8776    6.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2865    6.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3618    6.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9433    5.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9174    4.3039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9929    6.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8650    1.3681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  6  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  0  0  0  0
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 11 12  1  1  0  0  0
 13 11  1  0  0  0  0
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 15 14  1  0  0  0  0
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 24 23  1  6  0  0  0
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 22 34  1  6  0  0  0
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 10 46  1  1  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 49 47  1  0  0  0  0
  5 50  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012779-3D
FYIcenter.com

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