Molecule FYI-1004259

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A

Molecule Summary:

ID: FYI-1004259
Names:
InChIKey: YULHLOUAHSEHLD-UHFFFAOYSA-N
SMILES: CC1CCC2C13CCC(C(C3)C2(C)CO)(C)O

Received at FYIcenter.com on: 2023-08-24

Molecule ID: FYI-1004259 Edit

Molecule Structure InChIKey: YULHLOUAHSEHLD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1CCC2C13CCC(C(C3)C2(C)CO)(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004259
FYIcenter.com

 43 45  0     1  0  0  0  0  0999 V2000
    6.4967    1.9986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4079    1.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1705   -0.7554    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2695   -0.3215    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0470    0.6534    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6705    1.4352    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2774    0.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0345   -1.7401    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0715   -0.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6705    1.4352    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5844   -1.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0562   -1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2940    0.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3891    1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1275    0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7561   -2.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5958    2.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6717   -0.1574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4015    1.9938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8474    0.1775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2299   -2.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2035   -2.8617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1853   -1.9851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2140    2.4788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5494    3.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9775    2.3861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0553    1.7296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 42  1  0  0  0  0
  2 14  1  0  0  0  0
  2 43  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
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  6  7  1  0  0  0  0
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  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  8 22  1  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
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 10 17  1  0  0  0  0
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 11 25  1  0  0  0  0
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 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
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 15 33  1  0  0  0  0
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 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004259-3D
FYIcenter.com

 43 45  0  0  1  0  0  0  0  0999 V2000
    0.9672   -0.4319    0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629   -0.2012   -0.1133 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0476   -1.2187   -1.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2508   -0.5131   -1.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7845    0.9441   -1.9353 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9013    1.1827   -0.6698 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7246    2.1342   -0.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520    3.5133   -1.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3861    4.0391   -0.7283 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5173    2.9327   -0.6266 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9351    1.8327    0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8880    2.0959   -1.9314 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3054    1.4473   -1.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9528    2.9977   -3.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9834    3.9824   -3.0638 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    5.4096   -1.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9951    4.3773    0.6284 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7900   -1.4271    0.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4099   -0.3710   -0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5454    0.2942    0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9334   -0.3520    0.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3280   -1.4890   -1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3396   -2.1376   -0.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2894    4.2082   -1.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4145    3.3587   -0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4819    2.1843    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7245    1.1320    0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4980    0.8197   -1.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0298    3.5197   -3.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    2.4074   -4.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0833    4.2385   -2.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2199    5.4056   -2.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5377    5.8807   -0.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9479    6.0846   -1.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0915    4.0564    0.7846 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 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
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  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
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  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
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 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
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 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1720👍, 0💬