Molecule FYI-1006909

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A

Molecule Summary:

ID: FYI-1006909
Names:
InChIKey: GOTQJVUEKCNRKB-AATRIKPKSA-N
SMILES: CC(O)/C=C/C1(O)C(C)C(O)C(O)CC1(C)C

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006909 Edit

Molecule Structure InChIKey: GOTQJVUEKCNRKB-AATRIKPKSA-N

Molecule Structure SMILES String: CC(O)/C=C/C1(O)C(C)C(O)C(O)CC1(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006909
FYIcenter.com

 41 41  0  0  0  0  0  0  0  0999 V2000
    2.3960    4.8416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7919    0.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1879    2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940    8.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7919    4.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940    4.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940    2.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9899    4.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7919    2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9899    2.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600    5.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5818    5.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6273    5.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    6.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    7.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980    8.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689    1.5137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3732    4.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6816    5.3479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486    1.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9899    1.3833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4128    6.2939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7919    7.6082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1753    6.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7757    4.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5512    6.5275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2883    6.7840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9981    6.4546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0876    0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980    1.3833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7043    3.2730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980    4.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9899    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1879    0.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980    5.5333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980    6.9166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5063    7.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8896    9.4979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940    9.6832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 33  1  0  0  0  0
  2  9  1  0  0  0  0
  2 34  1  0  0  0  0
  3 10  1  0  0  0  0
  3 35  1  0  0  0  0
  4 16  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006909-3D
FYIcenter.com

 41 41  0     1  0  0  0  0  0999 V2000
    0.1904   -0.0849   -1.5387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0892   -2.0952    0.4846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2238    0.3437   -0.5656 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517   -1.4587   -0.0304 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6798    1.4291    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007    0.0429   -0.1218 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8676   -1.1581    0.3784 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1190    1.4374   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3153   -1.0781   -0.1602 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9714    0.2734    0.1195 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0833    2.5974   -0.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314    1.7275    1.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3833   -0.0334    0.4727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2622   -2.5241   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048   -0.1314   -0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8799   -0.2066    0.3390 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7671    0.9189   -0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069   -1.1447    1.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0990    1.4303   -1.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6222    2.3802   -0.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3510   -1.3001   -1.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1948    0.3735    1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1071    2.6850   -0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163    3.5538   -0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1363    2.4753   -1.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2683    1.8916    2.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2007    0.9222    2.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066    2.6404    1.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4648   -0.0252    1.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2010   -2.6445   -1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7426   -2.6501    0.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692   -3.3472    0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6761   -0.1019   -1.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0762   -1.9216    1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6345    1.1961   -0.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4735   -0.1585   -1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8385   -0.1696    1.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8935    0.8589   -1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7699    0.8432    0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3545    1.9015    0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3409   -1.5020    0.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 33  1  0  0  0  0
  2  9  1  0  0  0  0
  2 34  1  0  0  0  0
  3 10  1  0  0  0  0
  3 35  1  0  0  0  0
  4 16  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
M  END
$$$$

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2024-01-31, 2648👍, 0💬