Molecule FYI-1005321

A

Molecule Summary:

ID: FYI-1005321
Names:
InChIKey: RRZXIRBKKLTSOM-WEWDGTPISA-N
SMILES: CC[C@H](C)[C@H]1O[C@]7(C=C[C@@H]1C)C[C@@H]4C[C@@H](C/C=C(C)/[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H](O)[C@H](C)O2)[C@H](C)O3)[C@@H](C)/C=C/C=C/5CO[C@@H]6[C@H](O)C(C)=C[C@@H](C(=O)O4)[C@]56O)O7

Received at FYIcenter.com on: 2023-10-24

Molecule ID: FYI-1005321 Edit

Molecule Structure InChIKey: RRZXIRBKKLTSOM-WEWDGTPISA-N

Molecule Structure SMILES String: CC[C@H](C)[C@H]1O[C@]7(C=C[C@@H]1C)C[C@@H]4C[C@@H](C/C=C(C)/[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]2C[C@H](OC)[C@@H](O)[C@H](C)O2)[C@H](C)O3)[C@@H](C)/C=C/C=C/5CO[C@@H]6[C@H](O)C(C)=C[C@@H](C(=O)O4)[C@]56O)O7

Download SDF Download SVG Structure in 2D SDF:

FYI-1005321
FYIcenter.com

 62 68  0  0  1  0  0  0  0  0999 V2000
   18.0932   15.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8870   14.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6807   15.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6807   16.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4745   14.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4745   12.9995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2683   12.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4745   11.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8248    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8248    4.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310    6.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4435    6.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2372    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6497    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6497    4.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8559    3.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6644    4.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    3.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4877    3.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9181    4.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1904    4.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3172    4.0794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3360    6.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2092    7.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9369    6.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2683    7.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4745    8.3569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2683   15.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2683   16.4816    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  0  0  0  0
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  5  6  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  1  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
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 11 58  1  6  0  0  0
  7 58  1  6  0  0  0
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 60 59  2  0  0  0  0
 61 60  1  0  0  0  0
 61  5  1  0  0  0  0
 61 62  1  6  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-11-02, 529👍, 0💬