Molecule FYI-1014290

A

Molecule Summary:

ID: FYI-1014290
Names:
InChIKey: PAJMKGZZBBTTOY-ZFORQUDYSA-N
SMILES: CCCCC[C@H](O)CC[C@H]3[C@H](O)C[C@@H]2Cc1c(cccc1OCC(=O)O)C[C@@H]23

Received at FYIcenter.com on: 2025-03-24

Molecule ID: FYI-1014290 Edit

Molecule Structure InChIKey: PAJMKGZZBBTTOY-ZFORQUDYSA-N

Molecule Structure SMILES String: CCCCC[C@H](O)CC[C@H]3[C@H](O)C[C@@H]2Cc1c(cccc1OCC(=O)O)C[C@@H]23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014290
FYIcenter.com

 28 30  0  0  1  0  0  0  0  0999 V2000
   17.8970    3.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6846    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4722    3.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2597    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0473    3.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8349    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8349    5.4011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6225    3.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1976    3.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9187    3.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4859    5.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1166    5.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6840    6.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145    7.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778    6.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    3.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1798    4.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818    2.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6818    1.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0513    1.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0916    0.9719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  1  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
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 21 20  2  0  0  0  0
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 23 17  2  0  0  0  0
 23 13  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  6  0  0  0
 25 11  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 10  1  0  0  0  0
 27 28  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014290-3D
FYIcenter.com

 62 64  0     1  0  0  0  0  0999 V2000
    1.6802   -0.8343    1.5323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3185   -0.8357   -0.4832 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1216    2.3183   -1.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2119   -4.4161   -0.2967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9497   -2.8749    1.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5866    2.0601    1.5321 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4901    0.9291    2.0986 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7284    1.3603    1.1180 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7871    0.1409    2.0348 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6498   -0.3537    2.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2164    2.8697    0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8588    0.7848    1.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9569    2.2525    1.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9617    1.9904   -0.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713    0.9610   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572    1.5599    0.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5105    0.1596   -0.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145    1.1600   -0.6496 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8997    2.2070   -1.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6487    0.5171   -1.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4331    0.3734   -2.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6297    1.3946   -2.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9333   -0.8058   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2338   -1.4369   -0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8095   -3.3924   -0.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  2 25  1  0  0  0  0
  3 18  1  0  0  0  0
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  8  9  1  0  0  0  0
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 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
M  END
$$$$

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2025-04-11, 754👍, 0💬