Molecule FYI-1005596

A

Molecule Summary:

ID: FYI-1005596
Names: FRUCTOSE;
InChIKey: LKDRXBCSQODPBY-VRPWFDPXSA-N
SMILES: OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005596 Edit

Molecule Names: FRUCTOSE;

Molecule Structure InChIKey: LKDRXBCSQODPBY-VRPWFDPXSA-N

Molecule Structure SMILES String: OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005596
FYIcenter.com

 24 24  0  0  1  0  0  0  0  0999 V2000
    5.4185    4.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9280    3.9217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7859    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9280    7.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217    9.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217    0.9280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217    3.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217    7.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4185    6.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0575    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.5859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.9143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739    6.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7851    7.5213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2365    3.1137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2365    1.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8575    2.4249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9280    8.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.6427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3859    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  7  2  1  1  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  9  4  1  6  0  0  0
  4 22  1  0  0  0  0
 10  5  1  6  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005596-3D
FYIcenter.com

 24 24  0     1  0  0  0  0  0999 V2000
    0.6618    1.3230   -0.0993 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0905   -2.3090   -0.1069 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3199   -0.3534    1.4360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6062   -1.2361   -0.0845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0587    1.2720   -1.0690 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708    0.4758   -0.3702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2099   -0.9371   -0.3514 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9863   -0.0636    0.0748 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4718   -0.5351    0.4176 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7212    0.9670    0.2864 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4712    1.7540    0.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2098   -0.3575   -0.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002   -0.8301   -1.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729   -0.8117    1.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5694    1.2770    0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6141    2.8159    0.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2485    1.6651    1.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0165   -0.1492   -1.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517   -1.3906   -0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7358   -2.5963   -0.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555   -0.1275    1.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6215   -1.1375   -1.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9294    0.8786   -1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9749    1.3979   -0.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 3181👍, 0💬