Molecule FYI-1007541

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A

Molecule Summary:

ID: FYI-1007541
Names:
InChIKey: VOXZDWNPVJITMN-UHFFFAOYSA-N
SMILES: CC34CCC2c1ccc(O)cc1CCC2C3CCC4O

Received at FYIcenter.com on: 2024-02-29

Molecule ID: FYI-1007541 Edit

Molecule Structure InChIKey: VOXZDWNPVJITMN-UHFFFAOYSA-N

Molecule Structure SMILES String: CC34CCC2c1ccc(O)cc1CCC2C3CCC4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007541
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    8.8861    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8063    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    1.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    1.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368    3.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    5.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    5.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    3.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5710    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
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007541-3D
FYIcenter.com

 44 47  0     1  0  0  0  0  0999 V2000
    4.9222    1.2244    0.2588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8308    0.3712   -0.0424 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565    0.3600   -0.5718 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0233   -0.9622   -0.2615 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4957   -0.8703   -0.4257 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1324    0.3195    0.3422 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1583    0.0606    0.0013 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0798    1.5611    0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5217   -1.3522    1.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657    1.6235   -0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9019   -0.7106    1.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076   -2.1690   -0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8457    0.6226   -2.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6542    0.3356    0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -2.1291   -0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621   -0.8345   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3946    1.4903    0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7646   -0.8043   -0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7884    1.5043    0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4736    0.3591    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3859   -1.7365   -0.9546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3047   -0.7172   -1.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5786   -2.4411    1.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1930    2.4772    0.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3408    1.8409   -1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9268   -0.0531    2.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764   -1.4694    1.4523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649   -2.3045    1.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865   -3.0372   -0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4280    1.5265   -2.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338   -0.2102   -2.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8583    0.7518   -2.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -2.9701   -0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7048   -2.2671   -1.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0395    1.6918   -0.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9025    2.4016    0.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3001   -1.7046   -0.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3312    2.4148    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1371   -0.5091   -0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 40  1  0  0  0  0
  2 20  1  0  0  0  0
  2 44  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 15  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
M  END
$$$$

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2024-03-07, 196👍, 0💬