Molecule FYI-1004591

A

Molecule Summary:

ID: FYI-1004591
Names:
InChIKey: IGSYEZFZPOZFNC-UHFFFAOYSA-N
SMILES: O=C(O)C2OC(OC1C(O)C(O)C(O)OC1C(=O)O)C(O)C(O)C2O

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004591 Edit

Molecule Structure InChIKey: IGSYEZFZPOZFNC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C2OC(OC1C(O)C(O)C(O)OC1C(=O)O)C(O)C(O)C2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004591
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   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
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20  6  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 24  4  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004591-3D
FYIcenter.com

 43 44  0  0  1  0  0  0  0  0999 V2000
    2.5493   -1.3429   -1.2022 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104   -0.1893   -0.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    0.8113   -1.6611 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6761    0.3100    0.5998 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3714    1.5670    0.5716 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7343    1.4683    0.1338 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3668    2.7624    0.1577 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6190    3.7977   -0.5119 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6072    3.5934   -2.0417 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5750    4.4042   -2.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9888    3.9002   -2.6490 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9429    3.7976   -4.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4536    5.3021   -2.2238 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5512    6.2807   -2.7398 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5095    5.4073   -0.8064 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2183    5.1863   -0.1954 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3559    5.4038    1.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4638    5.2250    2.1186 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5840    5.8729    1.6489 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5298    0.5112    1.0494 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5389    0.9645    2.4191 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8661   -0.8733    1.0314 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5743   -1.7534    1.9095 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3946   -0.7363    1.4659 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7016   -1.9859    1.4744 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9770    1.6746   -1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6850    0.4954    1.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7743    1.0842   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926    3.8046   -0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3394    2.5685   -2.3077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9382    5.3008   -2.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7098    3.1596   -2.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2790    4.4428   -4.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4452    5.5074   -2.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    7.1199   -2.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5454    5.9813   -0.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1426    5.9129    0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5786    0.4519    0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2186    1.8884    2.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9301   -1.3190    0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6908   -1.2628    2.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3752   -0.3927    2.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8309   -2.4129    0.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 971👍, 0💬