Molecule FYI-1001558

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Molecule Summary:

ID: FYI-1001558
SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)O)CO)CO)N)O)O)O

Received at FYIcenter.com on: 2022-09-07

Molecule ID: FYI-1001558 Edit

Molecule Structure SMILES String: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)O)CO)CO)N)O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001558
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  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
  8  6  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 27 19  1  0  0  0  0
 28 27  1  0  0  0  0
 29 10  1  0  0  0  0
 30 29  1  0  0  0  0
 31  5  1  0  0  0  0
 32  4  1  0  0  0  0
 33  3  1  0  0  0  0
 34  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001558-3D
FYIcenter.com

 69 71  0  0  1  0  0  0  0  0999 V2000
   -0.8387    1.4117    2.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347    2.4040    1.3377 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4379    3.2818    1.7060 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7529    2.4883    1.6668 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9491    1.6706    0.3586 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6163    0.9194    0.0098 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4561    1.7662    0.0653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5742    0.0963   -1.1635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9962    0.6016   -2.4479 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0294   -0.6092   -3.4123 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7344   -1.1928   -3.6106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6684   -0.3347   -3.9945 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6517    1.0703   -3.2957 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0599    1.6618   -3.0503 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9888    2.8258   -2.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327    2.0618   -3.9532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4882   -0.2745   -5.4349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370   -1.5980   -6.0489 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9491   -2.3596   -5.6328 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1385   -1.8537   -6.2573 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412   -1.7735   -7.6725 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9557   -0.9243   -8.1946 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3733   -1.4569   -7.5966 C   0  0  3  0  0  0  0  0  0  0  0  0
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    0.9239   -0.8590   -9.6768 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2129   -3.0727   -8.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7956   -3.8808   -5.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0033   -4.5470   -5.4627 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0147    0.9754   -2.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6115   -1.3911   -2.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2364   -0.8088   -3.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4797    2.0232   -3.9944 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0778    2.1746   -4.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1763    1.6823   -4.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1525   -2.2199   -4.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0756   -1.2774   -7.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
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  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
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 27 60  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 65  1  0  0  0  0
 31 66  1  0  0  0  0
 32 67  1  0  0  0  0
 33 68  1  0  0  0  0
 34 69  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1538👍, 0💬