Molecule FYI-1000220

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A

Molecule Summary:

ID: FYI-1000220
SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O

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

Molecule ID: FYI-1000220 Edit

Molecule Structure SMILES String: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000220
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.3870    4.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8214    3.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4466    3.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5061    2.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9404    1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2557    1.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6305    1.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5709    2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1366    3.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618    4.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3275    5.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680    6.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6428    6.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770    4.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4826    4.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9169    6.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7798    7.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7798    8.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9970    9.2013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5626    9.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3454    8.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7526    7.8449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2380    7.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9527    5.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
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 17 16  1  0  0  0  0
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 19 18  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 19  1  0  0  0  0
 25 15  1  0  0  0  0
 26 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000220-3D
FYIcenter.com

 56 59  0  0  1  0  0  0  0  0999 V2000
    1.9058   -0.0990    1.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    0.1682    1.0228 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6918   -1.0419    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034   -2.3938    0.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4216   -2.3767    2.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7244   -3.4234    2.6880 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7978   -1.0850    2.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540    0.0888    2.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9263    1.3473    2.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2261    2.4435    1.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8991    2.7600    1.0758 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4369    1.5555    0.1978 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1736    1.9483   -0.6322 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8333    3.4854   -0.6198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226    4.1898    0.7761 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8242    4.1631    0.3419 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2836    5.6333   -0.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647    6.4586    0.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    5.6448    1.4893 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4174    5.8248    3.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6960    4.9074    3.8172 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2375    7.2075    3.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033    7.1554    5.0328 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0251    5.9798    1.7848 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2522    3.5503    1.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3840    1.4917   -1.9587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8441   -0.9533    2.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261   -0.3390    0.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4987    0.7374    2.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7158   -0.9261   -0.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0281   -1.0612   -0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9909   -3.1910    0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5639   -2.6542    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4819   -1.1526    3.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8475    1.1334    3.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2120    1.7251    3.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9948    2.1178    1.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6032    3.3295    2.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2761    2.7638    1.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2577    1.4004   -0.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621    1.4332   -0.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7693    3.6690   -0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3307    3.7943   -1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2781    3.8037   -0.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    5.4821   -1.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1604    6.2485   -0.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    6.3333   -0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831    7.5262    0.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094    7.5354    3.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9428    7.9174    3.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8887    6.2652    5.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4061    6.5608    1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435    2.5114    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2995    4.0704    1.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4364    3.5708    2.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6050    1.7243   -2.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  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 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  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 34  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
M  END
$$$$

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2022-05-05, 2638👍, 0💬