Molecule FYI-1006403

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A

Molecule Summary:

ID: FYI-1006403
Names:
InChIKey: FKKXLASAHLUZPV-QHHAFSJGSA-N
SMILES: COc1ccc(O)c(C/C=C/O)c1

Received at FYIcenter.com on: 2023-12-14

Molecule ID: FYI-1006403 Edit

Molecule Structure InChIKey: FKKXLASAHLUZPV-QHHAFSJGSA-N

Molecule Structure SMILES String: COc1ccc(O)c(C/C=C/O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006403
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    9.9222    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7097    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4973    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2848    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0724    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8600    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6475    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6475    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8600    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0724    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2848    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3648    2.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3491    0.0000 C   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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006403-3D
FYIcenter.com

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.9995   -0.1113   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211   -0.0615   -0.0215 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9934    1.1813   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3084    2.3947   -0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0154    3.5993   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123    3.5903   -0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0939    4.7735   -0.1070 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1245    2.3864   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6348    2.3355   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100    2.3366    1.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1213    1.3607    1.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7911    1.3813    2.8255 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3935    1.1852   -0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6991   -1.1633   -0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5802    0.3617   -0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5974    0.3422    0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    2.4393   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4579    4.5308   -0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4557    5.5026   -0.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0079    3.1894   -0.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9325    1.4511   -0.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1436    3.2184    1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3471    0.4574    1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5963    2.2207    3.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9206    0.2328   -0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  2  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

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2024-01-15, 2648👍, 0💬