Molecule FYI-1010964

A

Molecule Summary:

ID: FYI-1010964
Names:
InChIKey: RCCPTCCWBIKJES-HFLGISGGSA-N
SMILES: C[C@H]2[C@@H](O)C[C@H](CO)C(CO)=C1C[C@](C)(CO)C[C@H]12

Received at FYIcenter.com on: 2024-07-18

Molecule ID: FYI-1010964 Edit

Molecule Structure InChIKey: RCCPTCCWBIKJES-HFLGISGGSA-N

Molecule Structure SMILES String: C[C@H]2[C@@H](O)C[C@H](CO)C(CO)=C1C[C@](C)(CO)C[C@H]12

Download SDF Download SVG Structure in 2D SDF:

FYI-1010964
FYIcenter.com

 19 20  0  0  1  0  0  0  0  0999 V2000
    5.9493    0.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9970    1.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592    1.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5025    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978    3.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241    4.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8084    4.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5084    3.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8779    3.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0242    4.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7453    5.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1984    4.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2366    5.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4492    4.7837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0114    5.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6465    6.1706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0947    4.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4506    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  1  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
  5 17  1  6  0  0  0
 18 17  1  0  0  0  0
  3 19  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010964-3D
FYIcenter.com

 45 46  0     1  0  0  0  0  0999 V2000
   -3.1705    2.5672    0.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7741   -1.3140    0.9426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3716   -2.3994   -2.3563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4134   -2.7744    1.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    1.0805    0.4397 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6419    0.5575   -0.0179 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6880    1.7272    0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -0.2050   -0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8530    2.0430    0.0868 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7856   -0.3469   -0.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2007    1.5256    0.6282 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5945   -1.1274   -0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9591   -1.0436    0.1774 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7400    0.2617   -0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0410   -0.1576    1.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101    1.0226   -0.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9295    2.4057   -1.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4139   -2.3815   -1.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8770   -1.4412    1.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2217    0.8152    1.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6991    2.4247   -0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9779    2.3011    1.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6572    2.9911    0.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517   -1.3765   -0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6661    0.4873    1.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1727   -0.4674    1.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4996    1.6942   -0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6672    1.5684   -1.6577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5467    0.1780   -1.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0288    2.9299   -1.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5687   -2.4579   -1.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8672   -1.3967    2.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1974   -0.8035    2.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9954    2.2719    0.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0273   -1.7519    1.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2521   -3.2304   -2.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3767   -3.0137    2.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
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  2 15  1  0  0  0  0
  2 43  1  0  0  0  0
  3 18  1  0  0  0  0
  3 44  1  0  0  0  0
  4 19  1  0  0  0  0
  4 45  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$

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2024-08-06, 1756👍, 0💬