Molecule FYI-1006930

A

Molecule Summary:

ID: FYI-1006930
Names:
InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N
SMILES: O=C(O[C@@H]2Cc1c(O)cc(O)cc1O[C@@H]2c3cc(O)c(O)c(O)c3)c4cc(O)c(O)c(O)c4

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006930 Edit

Molecule Structure InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N

Molecule Structure SMILES String: O=C(O[C@@H]2Cc1c(O)cc(O)cc1O[C@@H]2c3cc(O)c(O)c(O)c3)c4cc(O)c(O)c(O)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006930
FYIcenter.com

 33 36  0  0  1  0  0  0  0  0999 V2000
    3.6373    7.7000    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
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    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
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    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
    8.4871    3.5000    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
    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 10  1  0  0  0  0
  5 11  1  6  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
  4 14  1  6  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 11 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  2  0  0  0  0
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 24 28  1  0  0  0  0
 23 29  1  0  0  0  0
 20 30  2  0  0  0  0
 18 31  1  0  0  0  0
 17 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006930-3D
FYIcenter.com

 51 54  0     1  0  0  0  0  0999 V2000
   -1.1184   -1.7626   -0.6440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331    0.4824    0.8673 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5210   -3.2952    2.1631 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0819   -4.8223   -2.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5970    2.1428   -2.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2428    0.6618    1.2071 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7423    1.2802    2.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9394    2.2703   -1.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    0.8907   -2.3327 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1702    4.4957    0.7611 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8869    3.2061   -1.5821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8111   -0.5999    1.5066 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7869   -1.2628    0.5255 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2157   -1.6291    1.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953   -2.4762    0.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8983   -0.3172    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0089   -2.5017   -0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8382   -3.2722    0.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826   -3.2792   -1.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0753   -0.2578    0.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7405    0.4901   -1.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3018   -4.0589   -0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6266   -4.0590   -1.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7801    1.1393    1.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7624    1.3591   -1.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0972    0.6112    0.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1908   -4.6736    0.0470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793   -3.8988    2.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6542    2.7476   -1.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0026    0.1041   -2.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7900    4.8064    1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2279    4.0146   -1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
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  2 24  1  0  0  0  0
  3 18  1  0  0  0  0
  3 42  1  0  0  0  0
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  5 46  1  0  0  0  0
  6 26  1  0  0  0  0
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  7 24  2  0  0  0  0
  8 27  1  0  0  0  0
  8 48  1  0  0  0  0
  9 31  1  0  0  0  0
  9 49  1  0  0  0  0
 10 32  1  0  0  0  0
 10 50  1  0  0  0  0
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 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 38  1  0  0  0  0
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 20 39  1  0  0  0  0
 21 25  2  0  0  0  0
 21 40  1  0  0  0  0
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 24 28  1  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 44  1  0  0  0  0
 30 31  2  0  0  0  0
 30 45  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
$$$$

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2024-01-31, 1535👍, 0💬