Molecule FYI-1007898

A

Molecule Summary:

ID: FYI-1007898
Names:
InChIKey: VKLNCKYEWNCUOS-KTRGRIQASA-N
SMILES: C/C=C/CC(=O)C(O)C(C)/C(C)=C/C(C)=C/C(C)=C/C(C)=C/C(C)=C/C=C/C(C)=C/C(=O)O

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007898 Edit

Molecule Structure InChIKey: VKLNCKYEWNCUOS-KTRGRIQASA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007898
FYIcenter.com

 33 32  0  0  0  0  0  0  0  0999 V2000
   26.6736    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    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
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.5000    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
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
   10.9119    3.5000    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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007898-3D
FYIcenter.com

 73 72  0  0  1  0  0  0  0  0999 V2000
    1.2925    0.5748   -7.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2429    1.7280   -7.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3213    2.6173   -6.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2296    3.8085   -6.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275    3.7126   -5.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8626    3.6361   -4.2923 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173    3.8249   -5.8418 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0643    5.2104   -5.7834 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6758    3.0056   -4.9372 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2913    1.5141   -4.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1602    3.1885   -5.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4902    2.7314   -6.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0943    3.7014   -4.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5497    3.8823   -4.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4157    3.1017   -3.8271 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0842    4.6930   -5.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5188    4.9070   -6.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9367    4.4890   -7.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4270    5.4427   -5.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8618    5.6710   -5.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8296    4.9623   -4.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3071    6.5255   -6.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7083    6.7834   -6.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5597    5.6022   -7.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2260    8.0343   -6.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6173    8.2940   -7.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2792    9.4634   -7.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6959    9.5631   -7.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6106    8.3762   -7.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1668   10.7091   -7.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5682   10.9117   -8.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5425   10.2998   -8.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6470   11.8897   -9.3479 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4225   -0.0448   -8.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2577    0.9299   -7.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7683    3.9052   -7.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8179    3.4953   -6.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887    5.5150   -4.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5706    3.3811   -3.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3929    1.0362   -5.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.3666   -4.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9215    0.9635   -4.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6409    2.2463   -7.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3007    1.9971   -6.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7666    3.5837   -7.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7921    3.9637   -3.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8335    2.4584   -3.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9985    3.7791   -3.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1004    2.4538   -4.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1130    5.7132   -4.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3295    4.3870   -3.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1826    7.4201   -7.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7496   10.3838   -6.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1216    7.5444   -6.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4428    8.6623   -6.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0066    7.9870   -8.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4878   11.5311   -8.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8039   12.2493   -9.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  2  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 41  1  0  0  0  0
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  9 10  1  0  0  0  0
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 22 23  1  0  0  0  0
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 23 25  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 66  1  0  0  0  0
 26 27  2  0  0  0  0
 26 67  1  0  0  0  0
 27 28  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 30 31  1  0  0  0  0
 30 72  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 73  1  0  0  0  0
M  END
$$$$

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2024-04-14, 165👍, 0💬