Molecule FYI-1010526

A

Molecule Summary:

ID: FYI-1010526
Names:
InChIKey: NFDYOYVMJQOZKO-SREVYHEPSA-N
SMILES: CCCC/C=C\\CCCCCCCCCCCCc1c(O)c(=O)c(C)c(O)c1=O

Received at FYIcenter.com on: 2024-06-13

Molecule ID: FYI-1010526 Edit

Molecule Structure InChIKey: NFDYOYVMJQOZKO-SREVYHEPSA-N

Molecule Structure SMILES String: CCCC/C=C\CCCCCCCCCCCCc1c(O)c(=O)c(C)c(O)c1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010526
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7972    1.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0779    1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2080    1.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4887    1.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6188    0.8084    0.0000 C   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  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
  1 19  1  0  0  0  0
  1 15  2  0  0  0  0
 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
 17 22  1  0  0  0  0
 15 23  1  0  0  0  0
 18 24  1  0  0  0  0
 14 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010526-3D
FYIcenter.com

 69 69  0  0  0  0  0  0  0  0999 V2000
    4.0463   -7.3224   -2.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0214   -6.2521   -2.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9080   -5.8437   -1.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8824   -4.7754   -1.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7765   -4.3427   -0.8085 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7181   -3.4147   -0.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9215   -2.7309   -2.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7103   -1.2312   -2.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   -0.6380   -1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1064   -0.3370   -0.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5213   -0.6139   -1.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5096   -0.0331   -0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9264   -0.3063   -0.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9164    0.2748    0.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3319   -0.0002   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.7108    0.8817    1.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1576    2.1427    1.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7626    3.0562    0.3369 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1860    2.6321    2.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4359    3.8112    2.3618 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9515    1.6120    3.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2447    2.0872    3.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4916    0.3582    3.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1770   -0.6098    3.8971 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2006   -0.0352    2.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6035   -1.0790    2.7653 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5386   -1.0623   -0.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5318    0.4416   -1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2779   -0.4781   -2.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3044   -1.9855   -1.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6801   -0.1707   -2.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
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  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  2  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
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  9 10  1  0  0  0  0
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 14 15  1  0  0  0  0
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 14 56  1  0  0  0  0
 15 16  1  0  0  0  0
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 15 58  1  0  0  0  0
 16 17  1  0  0  0  0
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 16 60  1  0  0  0  0
 17 18  1  0  0  0  0
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 17 62  1  0  0  0  0
 18 19  1  0  0  0  0
 18 63  1  0  0  0  0
 18 64  1  0  0  0  0
 19 20  2  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 65  1  0  0  0  0
 22 23  2  0  0  0  0
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 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
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 27 69  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
$$$$

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2024-06-30, 1574👍, 0💬