Molecule FYI-1006883

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A

Molecule Summary:

ID: FYI-1006883
Names:
InChIKey: OXQKEKGBFMQTML-UHFFFAOYSA-N
SMILES: OCC(O)C(O)C(O)C(O)C(O)CO

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006883 Edit

Molecule Structure InChIKey: OXQKEKGBFMQTML-UHFFFAOYSA-N

Molecule Structure SMILES String: OCC(O)C(O)C(O)C(O)C(O)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006883
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.8494    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006883-3D
FYIcenter.com

 30 29  0     1  0  0  0  0  0999 V2000
    0.4656   -0.4583   -2.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1475   -1.0784   -1.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6099    1.8788   -0.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8435   -1.4542    1.4491 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1264    1.4520    0.6151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8354    1.3405    0.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3670   -1.0030    0.4420 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532   -0.4409   -0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4582   -0.1455   -0.5652 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9396    0.5876    0.0956 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0906   -0.1869    0.8396 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4554    0.3670   -0.0384 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5947    0.0678    0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9529   -0.9265    0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2316   -1.4493   -0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    0.8365   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6759    0.6165    1.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6114    0.5803    1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7650    0.4281   -1.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1294   -0.7034    0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9987    0.0687    1.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7475   -0.9374    1.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5065   -1.8137    0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3107   -0.9360   -2.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7495   -1.0260   -2.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1579    2.5326    0.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2232   -1.4279    2.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    1.3077    0.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7978    1.4786    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5523   -1.0189   -0.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 24  1  0  0  0  0
  2  9  1  0  0  0  0
  2 25  1  0  0  0  0
  3 10  1  0  0  0  0
  3 26  1  0  0  0  0
  4 11  1  0  0  0  0
  4 27  1  0  0  0  0
  5 12  1  0  0  0  0
  5 28  1  0  0  0  0
  6 13  1  0  0  0  0
  6 29  1  0  0  0  0
  7 14  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 1562👍, 0💬