Molecule FYI-1000232

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Molecule Summary:

ID: FYI-1000232
SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O

Received at FYIcenter.com on: 2021-01-22

Molecule ID: FYI-1000232 Edit

Molecule Structure SMILES String: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000232
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    8.8861    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8063    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    1.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    1.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368    3.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    5.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    5.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    3.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
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 15  5  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000232-3D
FYIcenter.com

 55 58  0  0  1  0  0  0  0  0999 V2000
    1.9593   -0.0060    1.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742    0.1455    1.1120 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8136   -0.9214    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225   -2.3614    0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4504   -2.6155    1.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505   -3.7336    2.0842 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7531   -1.4770    2.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3528   -0.2202    2.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8878    0.8383    3.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1605    2.1509    2.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8722    2.5482    1.8865 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7538    1.6428    0.6169 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7659    2.2255   -0.4528 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8155    3.7683   -0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6531    4.4630    0.7729 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8489    4.0411    1.6318 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7212    4.9282    2.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2617    6.2792    2.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7710    6.0045    0.8518 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7552    6.6746   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7661    6.1226   -0.5449 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4940    8.1367   -0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4568    8.6134   -1.3785 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2697    4.0750    1.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672    1.6553   -1.7349 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293   -0.9226    1.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8604   -0.8002   -0.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1966   -0.7883   -0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9310   -3.0734   -0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776   -2.5742    0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3475   -1.7083    3.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8349    0.5108    3.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1834    0.9983    4.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9925    2.0513    1.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4778    2.8915    3.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0302    2.3382    2.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7371    1.6211    0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7390    1.9368   -0.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    4.1122   -1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7676    4.0302   -1.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7902    4.3069    1.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6572    5.0236    3.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9743    4.5352    3.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0928    6.9929    2.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569    6.6895    2.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7978    6.4785    0.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4994    8.2365   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1510    7.9208   -1.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1301    2.9964    1.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4566    4.4446    0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    4.4885    2.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5383    2.1313   -2.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  1  0  0  0  0
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 24 52  1  0  0  0  0
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 24 54  1  0  0  0  0
 25 55  1  0  0  0  0
M  END
$$$$

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2022-05-05, 372👍, 0💬