Molecule FYI-1007888

A

Molecule Summary:

ID: FYI-1007888
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-1007888 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-1007888
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-1007888-3D
FYIcenter.com

 74 73  0  0  1  0  0  0  0  0999 V2000
    0.0689    2.1373    2.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5677    2.4150    2.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4096    1.1354    2.7524 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0544    0.6096    1.4705 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9524    1.3858    2.8576 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3001    2.0037    4.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7989    0.0922    2.5620 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3600   -0.4054    1.2719 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3689    0.2155    2.5085 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7531    1.1994    1.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0342    0.4971    3.8898 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5451   -0.5034    4.7937 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5735    0.6082    4.0324 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2350    1.7732    3.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0687    0.6498    5.5288 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.4962    0.5526    5.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6305    1.8593    6.4335 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1345    1.8130    6.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4096    1.9664    7.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9031    2.3571    7.7172 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1010    3.6932    6.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5877    2.3998    9.1115 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0193    3.4123    9.9397 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6161    1.0526    9.8854 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1700   -0.0932    9.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3686    1.1961   11.2275 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1304    0.0551   12.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8909    1.3698   11.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4766    1.9912   10.2208 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5371    0.7230   12.0933 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2483    1.6982    1.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7757    2.9347    3.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1155    0.3956    3.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181    0.0801    1.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1896    2.1158    2.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728    1.2376    4.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5195    2.6471    4.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1590    2.6624    4.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5196   -0.6891    3.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826   -0.9153    0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7317   -0.7716    2.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7011    2.2318    1.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0991    1.1312    0.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7567    0.9760    1.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6654    1.4504    4.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2071   -1.2109    4.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9877   -0.3160    3.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3080    2.6789    3.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7390    2.0775    2.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2523    1.4907    2.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7591   -0.2707    6.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8451    1.3901    5.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7889    2.7981    5.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7970    0.7937    7.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5188    2.2506    6.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9091    2.4109    7.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9031    2.7300    8.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4569    1.6094    7.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1451    4.0180    7.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5675   -0.9226    9.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9967    2.0578   11.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0819   -0.7476   11.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8653    0.3024   12.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  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
  3 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 38  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 42  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 44  1  0  0  0  0
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 21 65  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 68  1  0  0  0  0
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 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
 26 27  1  0  0  0  0
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 26 72  1  0  0  0  0
 27 73  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 74  1  0  0  0  0
M  END
$$$$

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2024-04-14, 1256👍, 0💬