Molecule FYI-1003177

Home > Molecule

A

Molecule Summary:

ID: FYI-1003177
Names:
InChIKey: SRBFZHDQGSBBOR-KLVWXMOXSA-N
SMILES: O[C@H]1CO[C@H](O)[C@H](O)[C@H]1O

Received at FYIcenter.com on: 2023-05-18

Molecule ID: FYI-1003177 Edit

Molecule Structure InChIKey: SRBFZHDQGSBBOR-KLVWXMOXSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003177
FYIcenter.com

 10 10  0  0  1  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  5  6  1  6  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003177-3D
FYIcenter.com

 20 20  0     1  0  0  0  0  0999 V2000
    0.6348   -1.6098   -0.5193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5611    1.8166    0.3064 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2371    2.0172   -0.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0783   -0.6961   -0.7610 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351   -0.3824    0.7216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6340    0.7581    0.5355 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4790    0.8278   -0.5101 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3528   -0.5902    0.4658 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3932   -0.4008   -0.4301 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3530   -1.7403    0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2193    0.9043    1.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0288    0.8884   -1.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0825   -0.6808    1.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0643   -0.3746   -1.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1442   -1.7992    1.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8647   -2.6925    0.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0627    2.6511    0.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6732    1.9542    0.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6869    0.0612   -0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0412   -0.8770    0.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 366👍, 0💬