Molecule FYI-1002256

A

Molecule Summary:

ID: FYI-1002256
Names:
InChIKey: WRKCGKXMBZPNQI-UHFFFAOYSA-N
SMILES: CC2=CC(O)C3Cc4c(O)cc(C)c5c8c(C)cc(O)c7CC1c6c(C(C)=CC1O)c2c3c(c45)c6c78

Received at FYIcenter.com on: 2023-02-12

Molecule ID: FYI-1002256 Edit

Molecule Structure InChIKey: WRKCGKXMBZPNQI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2=CC(O)C3Cc4c(O)cc(C)c5c8c(C)cc(O)c7CC1c6c(C(C)=CC1O)c2c3c(c45)c6c78

Download SDF Download SVG Structure in 2D SDF:

FYI-1002256
FYIcenter.com

 36 43  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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
  1  3  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
  1 18  2  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 10 18  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 18 26  1  0  0  0  0
 27 24  1  0  0  0  0
 26 31  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  2  0  0  0  0
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 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 14  1  0  0  0  0
 34 21  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  2  0  0  0  0
 36  6  1  0  0  0  0
 36 13  1  0  0  0  0
 28 35  1  0  0  0  0
 28  4  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002256-3D
FYIcenter.com

 64 71  0  0  1  0  0  0  0  0999 V2000
    2.3035    0.6364   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4123   -0.8482    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3814   -1.3686    0.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0201   -1.6444    2.4032 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9798   -0.9699    3.2082 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5907   -1.1482    2.7303 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2286   -1.4681    4.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0611   -2.3861    4.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0622   -2.8887    5.6601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8254   -2.7063    6.6854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1503   -3.6262    5.9766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1893   -3.8456    5.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1216   -3.5875    2.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4163   -4.2696    2.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9681   -5.1706    3.4779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3143   -4.2190    1.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9628   -3.6119    0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8234   -3.5987   -0.9015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7017   -3.0567    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0921   -2.7253    2.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0140   -0.5287    4.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5674   -2.1450    6.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  2  3  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
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  4 41  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7  8  1  0  0  0  0
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 24 25  1  0  0  0  0
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 35 36  1  0  0  0  0
M  END
$$$$

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2023-03-07, 2260👍, 0💬