Molecule FYI-1006673

A

Molecule Summary:

ID: FYI-1006673
Names:
InChIKey: CPBXNYZFGKIZDX-UHFFFAOYSA-N
SMILES: CC5(C)C=Cc4c(cc3oc2cc(O)c1OC(C)(C)C=Cc1c2c(=O)c3c4O)O5

Received at FYIcenter.com on: 2024-01-11

Molecule ID: FYI-1006673 Edit

Molecule Structure InChIKey: CPBXNYZFGKIZDX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC5(C)C=Cc4c(cc3oc2cc(O)c1OC(C)(C)C=Cc1c2c(=O)c3c4O)O5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006673
FYIcenter.com

 29 33  0  0  0  0  0  0  0  0999 V2000
    6.2498    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2498    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8249    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6747    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 13  9  1  0  0  0  0
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 19  2  1  0  0  0  0
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 22  1  1  0  0  0  0
 23 22  1  0  0  0  0
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 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 20  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006673-3D
FYIcenter.com

 49 53  0     0  0  0  0  0  0999 V2000
    5.1122    0.5139   -0.2161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8742    1.1552   -0.0033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2296    1.8393    0.1482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9490   -2.6751    0.0166 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5222   -2.1564    0.2546 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3062    3.0569   -0.0623 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6227   -0.8125    0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0510    0.3205   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8050   -0.3137   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3066   -1.6767   -0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 47  1  0  0  0  0
M  END
$$$$

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2024-04-14, 170👍, 0💬