Molecule FYI-1001359

A

Molecule Summary:

ID: FYI-1001359
SMILES: O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O

Received at FYIcenter.com on: 2022-06-08

Molecule ID: FYI-1001359 Edit

Molecule Structure SMILES String: O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001359
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  1  0  0  0  0
  7  2  1  0  0  0  0
  7  8  1  1  0  0  0
  6  9  1  1  0  0  0
 10  9  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  6  0  0  0
 17 16  1  0  0  0  0
 13 18  1  1  0  0  0
 12 19  1  6  0  0  0
 11 20  1  1  0  0  0
  4 21  1  6  0  0  0
 22 21  1  0  0  0  0
  3 23  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001359-3D
FYIcenter.com

 45 46  0  0  1  0  0  0  0  0999 V2000
   -2.8610    2.4438   -1.4807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392    2.5476   -1.3145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0882    3.8492   -0.6013 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4132    3.8957   -0.2476 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8896    2.6873    0.3940 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5912    1.4774   -0.3159 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9393    1.3591   -0.4886 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3165    0.1381   -1.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1869    1.4453   -1.6044 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4806    0.9110   -1.8448 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1395   -0.1645   -0.9501 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8574    0.4111    0.2732 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5176    1.7800    0.0577 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8254    2.6632   -0.9861 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4239    1.9399   -2.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7347    3.8263   -1.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0541    4.6995   -0.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5687    2.5113    1.3038 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8920   -0.5102    0.6839 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462   -1.1967   -0.5139 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6749    5.0579    0.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0704    5.1950    0.9713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4935    4.9485   -1.4225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517    3.3114   -1.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0253    2.5285   -2.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0043    4.0608   -1.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9251    0.6388    0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4295    1.3723    0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2287    0.3000   -1.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3340    0.4058   -2.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987   -0.6686   -1.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1719    0.4379    1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5627    1.6263   -0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9579    3.1281   -0.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6711    3.4499   -1.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2396    4.4177   -2.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1537    4.1593    0.4739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    2.2789    1.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4676   -1.3797    0.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6594   -1.4266   -1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3153    6.0102    0.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1912    4.8783    1.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978    4.3223    1.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9072    4.9946   -2.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 25  1  6  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 26  1  1  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 27  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 28  1  1  0  0  0
  7  8  1  0  0  0  0
  7 29  1  1  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 31  1  6  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 32  1  6  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 33  1  1  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 34  1  6  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  1  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
$$$$

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2022-07-26, 2678👍, 0💬