Molecule FYI-1010140

A

Molecule Summary:

ID: FYI-1010140
Names:
InChIKey: YNCZMLRHGXQIFJ-MKXFTGRQSA-N
SMILES: CC4=CCC(C[C@@]1(C(=O)O)C[C@H]1c3cccc(c2ccccc2)c3)C=C4

Received at FYIcenter.com on: 2024-05-29

Molecule ID: FYI-1010140 Edit

Molecule Structure InChIKey: YNCZMLRHGXQIFJ-MKXFTGRQSA-N

Molecule Structure SMILES String: CC4=CCC(C[C@@]1(C(=O)O)C[C@H]1c3cccc(c2ccccc2)c3)C=C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1010140
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
   11.0169    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6646    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    3.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    4.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    5.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    6.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    8.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0996    6.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    0.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    1.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3023    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  0  0  0  0
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  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
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 12 13  1  1  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
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 21 20  2  0  0  0  0
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 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
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 24 13  1  0  0  0  0
 25 12  1  0  0  0  0
 25  3  1  0  0  0  0
 26  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010140-3D
FYIcenter.com

 50 53  0  0  1  0  0  0  0  0999 V2000
    5.3167   -1.0671    7.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9677   -0.2940    5.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2934   -0.0809    5.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9558    0.6626    4.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0190    1.1784    3.6129 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4872    0.6885    2.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5291    1.1593    1.0775 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3744    0.2141    0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5165   -0.9987    0.7976 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942    0.8196    0.5217 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5100    2.6876    1.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8555    1.9656   -0.2186 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2036    1.9412   -0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9840    3.0823   -1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1520    3.0359   -1.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5627    1.8338   -2.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8239    0.6528   -2.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2976   -0.6622   -2.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6565   -1.0048   -2.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1019   -2.2977   -2.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1964   -3.2807   -3.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8493   -2.9602   -3.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4086   -1.6611   -3.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6376    0.7469   -1.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5531    0.9215    3.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0900    0.2436    4.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498   -1.4518    7.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7692   -1.9262    6.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6101   -0.4370    7.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9467   -0.4601    6.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7426    0.0202    4.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4725    1.5282    5.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1257    2.2706    3.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5524   -0.4069    2.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5029    1.0552    2.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2546    1.7855    0.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5674    3.2091    1.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669    2.0032   -0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7425    3.9375   -1.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4756    1.8248   -2.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3824   -0.2737   -2.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -2.5425   -2.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5373   -4.2974   -3.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1366   -3.7256   -3.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3459   -1.4468   -3.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0171   -0.1394   -1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8169    1.3424    3.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0187    0.1083    5.0718 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  2  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
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  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  1  0  0  0
  7  6  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  6  0  0  0
 13 14  1  0  0  0  0
 13 24  2  0  0  0  0
 14 15  2  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  2  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
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 20 21  1  0  0  0  0
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 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END
$$$$

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