Molecule FYI-1004255

A

Molecule Summary:

ID: FYI-1004255
Names:
InChIKey: LCLHHZYHLXDRQG-UHFFFAOYSA-K
SMILES: O=C([O-])C3OC(OC2C(O)C(O)C(OC1C(O)C(O)C(O)OC1C(=O)[O-])OC2C(=O)[O-])C(O)C(O)C3O

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004255 Edit

Molecule Structure InChIKey: LCLHHZYHLXDRQG-UHFFFAOYSA-K

Molecule Structure SMILES String: O=C([O-])C3OC(OC2C(O)C(O)C(OC1C(O)C(O)C(O)OC1C(=O)[O-])OC2C(=O)[O-])C(O)C(O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004255
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    9.6995   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
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  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 33  7  1  0  0  0  0
 34 33  1  0  0  0  0
 34  2  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004255-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
    3.5265    5.2173   -5.3132 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5843    5.4648   -6.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6531    5.9555   -7.2830 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1550    5.0007   -5.7191 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9498    4.7824   -4.2989 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6396    3.6587   -3.7479 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2147    3.3879   -2.3966 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142    4.4752   -1.4514 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7805    4.8324   -1.1341 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9027    5.9525   -0.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5135    3.6123   -0.5489 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8653    3.9710   -0.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7581    2.9498    0.6468 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0416    3.5871    1.9223 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6738    2.7311    3.0573 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1931    3.0210    3.3850 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6532    2.1453    4.3963 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0664    4.4760    3.8560 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3226    4.7784    4.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9402    4.6837    5.1205 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4660    3.9645    6.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3060    4.3720    4.8401 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4769    3.0067    4.3602 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9509    2.5175    4.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-16, 1120👍, 0💬