Molecule FYI-1011248

A

Molecule Summary:

ID: FYI-1011248
Names: LACTOSE;
InChIKey: GUBGYTABKSRVRQ-DCSYEGIMSA-N
SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O

Received at FYIcenter.com on: 2024-07-30

Molecule ID: FYI-1011248 Edit

Molecule Names: LACTOSE;

Molecule Structure InChIKey: GUBGYTABKSRVRQ-DCSYEGIMSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1011248
FYIcenter.com

 45 46  0     1  0  0  0  0  0999 V2000
    6.8671   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0044   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 14  1  1  1  0  0  0
  2 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 15  1  0  0  0  0
  3 21  1  0  0  0  0
 13  4  1  1  0  0  0
  4 38  1  0  0  0  0
 16  5  1  6  0  0  0
  5 39  1  0  0  0  0
 17  6  1  1  0  0  0
  6 40  1  0  0  0  0
 18  7  1  1  0  0  0
  7 41  1  0  0  0  0
 20  8  1  6  0  0  0
  8 42  1  0  0  0  0
 21  9  1  1  0  0  0
  9 43  1  0  0  0  0
 10 22  1  0  0  0  0
 10 44  1  0  0  0  0
 11 23  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 20  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 22  1  1  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 23  1  1  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011248-3D
FYIcenter.com

 45 46  0     1  0  0  0  0  0999 V2000
   -0.0229   -0.8150   -0.7674 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    0.7383    0.2490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3886   -0.7489    0.6753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7998    1.9588   -1.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1004   -2.7017   -0.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7194   -1.4747   -0.8285 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9522    1.1954   -0.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6986    2.1805   -1.4862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1972    0.6998    0.4031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7280   -3.3492    1.2737 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497    2.8796    1.9670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1602   -0.2387   -0.1307 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7265    0.8718   -1.0158 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1533   -0.6504    0.0241 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2088   -1.3265    0.1134 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3201   -1.2924   -0.7297 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6427   -1.0193   -0.0138 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8055    0.4704    0.2897 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0818    1.3546   -0.4988 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5673    0.9868    1.0309 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0156    0.1803   -0.2057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7064   -2.3865    1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6314    2.4872    1.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8997    0.2071    0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4478    0.4668    1.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9417    1.9739    0.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2402   -2.8440   -1.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671   -2.4175   -1.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6947    2.6344    1.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
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  3 21  1  0  0  0  0
  4 13  1  0  0  0  0
  4 38  1  0  0  0  0
  5 16  1  0  0  0  0
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  6 40  1  0  0  0  0
  7 18  1  0  0  0  0
  7 41  1  0  0  0  0
  8 19  1  0  0  0  0
  8 42  1  0  0  0  0
  9 21  1  0  0  0  0
  9 43  1  0  0  0  0
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 11 23  1  0  0  0  0
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 12 24  1  0  0  0  0
 13 19  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 22  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  1  0  0  0  0
 19 32  1  0  0  0  0
 20 23  1  0  0  0  0
 20 31  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

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2024-08-06, 1380👍, 0💬