Molecule FYI-1001947

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Molecule Summary:

ID: FYI-1001947
SMILES: CN4CCC23c1c5ccc(O)c1OC2C(O)/C=C\\C3C4C5

Received at FYIcenter.com on: 2023-01-02

Molecule ID: FYI-1001947 Edit

Molecule Structure SMILES String: CN4CCC23c1c5ccc(O)c1OC2C(O)/C=CC3C4C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1001947
FYIcenter.com

 40 44  0  0  0  0  0  0  0  0999 V2000
    5.0709    1.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3512    1.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6127    2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9092    1.9910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7023    3.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4401    3.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3292    5.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6765    6.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9006    7.4194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3932    5.0104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8935    7.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2111    8.5557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5895    6.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2366    7.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8959    7.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6968    6.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158    7.0151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9273    4.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9554    5.1995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9958    3.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1636    2.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8336    3.8262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1622    2.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5691    3.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3059    4.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5572    0.4016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0235    6.5410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7844    8.5665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7114    7.5439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8008    1.8965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9223    3.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4686    1.3064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9353    2.0411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0683    3.0388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3206    2.5688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8081    1.9972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3046    4.0660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0986    5.6492    0.0000 H   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
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 16  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 21  1  0  0  0  0
  6 21  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2 27  1  0  0  0  0
  4 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 23 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001947-3D
FYIcenter.com

 40 44  0  0  1  0  0  0  0  0999 V2000
    7.0078    4.4954   -3.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0550    3.4627   -3.5761 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6077    2.1361   -3.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8134    1.0596   -4.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2926    1.1790   -3.7951 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5940    1.1229   -5.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6124    2.1613   -6.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7788    2.0177   -7.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9607    0.8544   -7.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9537   -0.1383   -6.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1036   -1.2021   -6.2810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7647    0.0117   -5.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8124   -0.7523   -3.9969 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7587   -0.0866   -3.0992 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1040    0.2499   -1.7481 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1410   -0.8067   -0.7913 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7059    1.4603   -1.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7592    2.6103   -1.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7777    2.5551   -3.2730 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6542    3.5929   -4.0406 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3943    3.4251   -5.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9947    4.2842   -3.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6982    5.4544   -3.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1408    4.5730   -5.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6307    1.9231   -2.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6541    2.0629   -3.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2083    0.0758   -3.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0309    1.1348   -5.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7063    2.7871   -7.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2880    0.7705   -8.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676   -1.1199   -7.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5509   -0.8254   -2.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0364    0.4496   -1.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7588   -1.4842   -1.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9396    1.4333   -0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7504    3.5689   -1.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7285    2.7472   -3.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3269    4.6006   -3.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3410    3.4271   -6.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8215    4.2946   -5.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
$$$$

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2023-01-30, 2314👍, 0💬