Molecule FYI-1016508

A

Molecule Summary:

ID: FYI-1016508
Names:
InChIKey: RXITZMLVPZXUIK-UYXSQOIJSA-N
SMILES: COC(=O)[C@@H]1[C@H](C)C=C[C@H](C)[C@@H]1C(=O)O

Received at FYIcenter.com on: 2026-01-15

Molecule ID: FYI-1016508 Edit

Molecule Structure InChIKey: RXITZMLVPZXUIK-UYXSQOIJSA-N

Molecule Structure SMILES String: COC(=O)[C@@H]1[C@H](C)C=C[C@H](C)[C@@H]1C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016508
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    1.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    3.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    4.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    5.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6487    4.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    5.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8705    3.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0331    4.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6448    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9711    1.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5067    0.0134    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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  1  0  0  0
  2  8  1  1  0  0  0
  4  9  1  1  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 13  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016508-3D
FYIcenter.com

 31 31  0  0  1  0  0  0  0  0999 V2000
    6.8351   -2.7292   -3.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270   -2.0749   -2.2728 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1256   -1.7141   -2.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3056   -1.8053   -3.1108 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7540   -1.1789   -0.8327 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1184    0.3133   -0.6249 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0077    0.9355   -1.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6776    0.6474    0.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024   -0.2434    1.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8769   -1.7329    1.5226 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2784   -2.3377    1.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9764   -2.1852    0.3379 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2287   -3.6191   -0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2925   -4.2121   -0.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1180   -4.1961   -0.6700 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9704   -3.7940   -3.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7949   -2.3065   -3.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1273   -2.6105   -4.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6514   -1.1560   -0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1687    0.8678   -0.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9766    0.4315   -1.7820 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2068    1.9932   -1.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5169    0.8987   -2.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8277    1.7050    0.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4096    0.1254    2.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3535   -2.0626    2.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8445   -2.2227    0.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2267   -3.3990    1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8559   -1.8641    2.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9871   -2.2567    0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3105   -3.6458   -0.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5  3  1  0  0  0  0
  5 19  1  6  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  6  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  1  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  1  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

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