Molecule FYI-1005724

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A

Molecule Summary:

ID: FYI-1005724
Names:
InChIKey: MDIDMOWWLBGYPG-ULKQDVFKSA-N
SMILES: CC(=O)OC1CC2CCC(C1)N2C

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005724 Edit

Molecule Structure InChIKey: MDIDMOWWLBGYPG-ULKQDVFKSA-N

Molecule Structure SMILES String: CC(=O)OC1CC2CCC(C1)N2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005724
FYIcenter.com

 30 31  0     1  0  0  0  0  0999 V2000
    6.6560   -0.9177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0636   -2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1441    1.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6663   -0.2692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4075    0.6967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2674   -0.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0085    0.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8873   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4407    0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7164   -0.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441    2.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8297   -1.9025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7694   -2.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8863   -1.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    1.5177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4623   -1.3666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -0.9558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4146    0.0101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8136    0.7764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2932   -1.6036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4707   -1.5940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4458    1.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0550    0.4693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1698   -0.1529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1072    2.8553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9541    3.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1810    2.2353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9814   -1.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3520   -2.4566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5573   -2.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  1  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  6  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005724-3D
FYIcenter.com

 30 31  0     1  0  0  0  0  0999 V2000
    1.9327   -0.8111    0.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186    1.2985   -0.2930 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -0.2114    0.8857 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3266    1.0509    0.4836 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8132   -1.0561   -0.3128 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7950    1.2807   -0.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183   -0.1188   -1.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1924    0.8004    0.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3442   -1.5235   -0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457   -0.3505   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3745   -0.0321    1.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9277    0.1229    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2302   -0.4501    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5847    1.8895    1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4670   -1.9354   -0.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0429    1.7856   -1.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7022    1.8962   -0.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1797   -0.1704   -1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5388   -0.3601   -2.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6851    1.7404    0.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4794    0.5906    1.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1519   -2.1445    0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1568   -2.1761   -1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7174    0.0071   -1.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4428    0.6099    2.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8138   -0.9965    1.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9961    0.4087    0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5207   -1.2548   -0.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1531   -0.8245    1.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0028    0.3239    0.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 1423👍, 0💬