Molecule FYI-1001469

A

Molecule Summary:

ID: FYI-1001469
SMILES: [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O

Received at FYIcenter.com on: 2022-08-04

Molecule ID: FYI-1001469 Edit

Molecule Structure SMILES String: [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001469
FYIcenter.com

 58 64  0  0  1  0  0  0  0  0999 V2000
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    3.8073    6.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8073    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    1.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866    1.3936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    3.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866    4.1808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142    1.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2212    2.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4281    8.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4281    9.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6349    7.6648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   10.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6968    9.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3935   14.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866   15.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 54  2  0  0  0  0
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  4  3  1  0  0  0  0
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  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
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 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
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 57 12  1  0  0  0  0
 57 18  1  0  0  0  0
 57 58  1  6  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2022-08-27, 668👍, 0💬