Molecule FYI-1016448

A

Molecule Summary:

ID: FYI-1016448
Names:
InChIKey: IUMKNDCEUMDJDM-HQPKTYMTSA-N
SMILES: C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCC(=O)O

Received at FYIcenter.com on: 2026-01-08

Molecule ID: FYI-1016448 Edit

Molecule Structure InChIKey: IUMKNDCEUMDJDM-HQPKTYMTSA-N

Molecule Structure SMILES String: C=C[C@@](C)(/C=C/c1ccc(O)cc1)CCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016448
FYIcenter.com

 18 18  0  0  1  0  0  0  0  0999 V2000
   12.1243    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   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
    2.4249    2.8000    0.0000 C   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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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
  8  7  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016448-3D
FYIcenter.com

 36 36  0  0  1  0  0  0  0  0999 V2000
    1.5600    1.0758    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3964    0.0674   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994   -0.8827    0.9130 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7554   -0.5379    2.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6927   -2.3103    0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742   -3.2016    1.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981   -4.5721    0.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4052   -5.3205    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0479   -6.6448   -0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -7.2230    0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6191   -8.5172    0.2058 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2740   -6.5005    1.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6325   -5.1778    1.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6348   -0.7172    0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5200   -1.6235    1.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9907   -1.3877    1.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4531   -0.5940    0.5032 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7765   -2.1713    2.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233    1.6755   -0.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2809    1.3376    1.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069   -0.1044   -1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6737   -0.5752    2.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1031    0.4667    2.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2154   -1.2358    3.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9287   -2.5942   -0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7944   -2.9305    2.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496   -4.8911   -0.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108   -7.2033   -1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258   -8.9039   -0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5520   -6.9628    1.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0665   -4.6264    2.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9144    0.3295    0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8832   -0.9010   -0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3110   -2.6768    1.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3446   -1.4248    2.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773   -2.7599    2.6806 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 36  1  0  0  0  0
M  END
$$$$

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2026-02-02, 138👍, 0💬