Molecule FYI-1001598

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Molecule Summary:

ID: FYI-1001598
SMILES: CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31

Received at FYIcenter.com on: 2022-09-27

Molecule ID: FYI-1001598 Edit

Molecule Structure SMILES String: CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31

Download SDF Download SVG Structure in 2D SDF:

FYI-1001598
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    7.7851   -2.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7925   -1.2831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6580   -0.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6836    0.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8443    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8523    1.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9502    2.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522    1.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0683    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.7862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9337   -1.6362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0683   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3083    0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198    1.7484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865    2.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
  2 11  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  9 21  1  0  0  0  0
 14 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
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  3 25  1  0  0  0  0
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  4 27  1  0  0  0  0
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  8 31  1  0  0  0  0
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 16 35  1  0  0  0  0
 18 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001598-3D
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    1.3071    0.7387   -0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7523    0.6841   -0.6568 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2474    1.8918   -1.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0563    1.6154   -2.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1560    0.6685   -2.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4920    0.9470   -2.4951 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4541    0.0975   -1.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0759   -1.0541   -1.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7296   -1.4090   -1.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7716   -0.4782   -1.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2807   -0.6030   -1.2047 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9286   -1.7765   -0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9325   -2.8886   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4686   -4.1060    0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3387   -5.1462    0.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6840   -4.9698    0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024   -5.9454    0.7327 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1589   -3.7727   -0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150   -3.7406   -0.3357 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3028   -2.6899   -0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0369    1.6323    0.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9209   -0.1092    0.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7874    0.7755   -1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958    2.4216   -0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4547    2.5486   -3.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4273    1.1600   -3.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5094    0.3240   -2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8878   -1.6608   -0.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7940   -0.8064   -2.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9753   -2.2028   -0.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9583   -6.0653    1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1343   -6.6941    1.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8452   -4.5984   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  6  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  2  0  0  0  0
 16 17  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 1471👍, 0💬