Molecule FYI-1014302

A

Molecule Summary:

ID: FYI-1014302
Names:
InChIKey: LINOMUASTDIRTM-QGRHZQQGSA-N
SMILES: CC4=C[C@H]3O[C@@H]1[C@H](O)C[C@@](C)([C@]12CO2)[C@@]3(CO)[C@H](O)C4=O

Received at FYIcenter.com on: 2025-03-26

Molecule ID: FYI-1014302 Edit

Molecule Structure InChIKey: LINOMUASTDIRTM-QGRHZQQGSA-N

Molecule Structure SMILES String: CC4=C[C@H]3O[C@@H]1[C@H](O)C[C@@](C)([C@]12CO2)[C@@]3(CO)[C@H](O)C4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014302
FYIcenter.com

 21 24  0  0  1  0  0  0  0  0999 V2000
    6.2915    6.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0755    5.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0465    4.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8534    3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6185    4.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726    5.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8885    6.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9176    7.9068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4856    6.5697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0749    2.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7435    1.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2803    2.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5195    2.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0071    3.9738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8188    2.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    5.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5069    4.6796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  2  0  0  0  0
  6  9  1  6  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
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 14 16  1  1  0  0  0
 13 17  1  6  0  0  0
  4 17  1  1  0  0  0
 12 18  1  6  0  0  0
 10 19  1  1  0  0  0
  5 20  1  6  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014302-3D
FYIcenter.com

 41 44  0     1  0  0  0  0  0999 V2000
   -3.0344   -1.2977   -1.1454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6397    1.4467   -1.0743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4732    2.6751    0.6405 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076   -2.4378    0.1822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0944    0.1796    1.9730 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4829   -1.2801   -0.4943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517   -0.7317    0.6227 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8522   -0.5609   -0.7971 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1749   -0.2416    0.6146 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9652    0.9112   -0.9899 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2652    0.3223    1.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8529   -1.5805   -1.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7168    1.3308    0.2823 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2146    1.2298    0.0646 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5928   -2.1234    1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0830   -1.1122   -0.3068 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7646   -0.2714    2.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5800    1.7035   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941   -0.5493   -0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500    0.9269   -0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9980    1.4607   -0.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5065    1.2033   -1.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7814    0.8057    2.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2573   -2.1860    2.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6605   -2.3737    1.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1002   -2.9123    0.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6896   -1.1727   -1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7603   -1.2724    2.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2264    0.3958    2.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6866    2.7808   -0.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9232    2.8382    1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207   -2.4210    1.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619    0.1644    2.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3233    1.0504   -1.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.1907   -0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    2.5523   -1.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
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  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  1  0  0  0  0
  3 36  1  0  0  0  0
  4 16  1  0  0  0  0
  4 37  1  0  0  0  0
  5 17  1  0  0  0  0
  5 38  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
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 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
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 15 31  1  0  0  0  0
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 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 1652👍, 0💬