Molecule FYI-1007889

A

Molecule Summary:

ID: FYI-1007889
Names:
InChIKey: MOMYMJFVWXUYHC-UHFFFAOYSA-N
SMILES: CCC(O)C(C)C(O)C(C)C(O)C(C)C(O)C(C)CC(C)C(O)C(C)C(O)C(=O)O

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

Molecule ID: FYI-1007889 Edit

Molecule Structure InChIKey: MOMYMJFVWXUYHC-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007889
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 O   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
   14.5492    0.0000    0.0000 O   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
   12.1244    0.0000    0.0000 O   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
    9.6995    0.0000    0.0000 O   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
    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 C   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
    3.6373    3.5000    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
    2.4249    0.0000    0.0000 O   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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007889-3D
FYIcenter.com

 74 73  0  0  1  0  0  0  0  0999 V2000
    0.1782    0.1047    3.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736    0.3186    3.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011   -0.6526    3.0827 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1237   -0.3734    1.7315 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0365   -0.4909    3.3019 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4033   -0.7628    4.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8638   -1.3643    2.2986 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4557   -0.9470    0.9673 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4184   -1.2523    2.3660 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8028    0.1928    2.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0932   -1.8832    3.6303 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6891   -3.2617    3.6231 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1748   -0.3559    3.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2187   -2.5089    5.0003 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8600   -3.8993    4.9478 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7105   -0.3359    6.9200 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0927   -1.1592    8.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0485    1.1911    7.0333 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3814    1.7495    8.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5410    1.6482    7.0575 C   0  0  3  0  0  0  0  0  0  0  0  0
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   14.0562    3.5521    7.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1442    4.0281    6.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7933    0.2123    1.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1574   -2.6133    3.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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  9 10  1  0  0  0  0
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 22 66  1  0  0  0  0
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 24 25  1  0  0  0  0
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 30 74  1  0  0  0  0
M  END
$$$$

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2024-04-14, 148👍, 0💬