Molecule FYI-1012148

A

Molecule Summary:

ID: FYI-1012148
Names:
InChIKey: NYSQQJIJJJAWCE-UHFFFAOYSA-N
SMILES: C/C(C)=C\\COC2OC(COC1OCC(O)C(O)C1O)C(O)C(O)C2O

Received at FYIcenter.com on: 2024-08-16

Molecule ID: FYI-1012148 Edit

Molecule Structure InChIKey: NYSQQJIJJJAWCE-UHFFFAOYSA-N

Molecule Structure SMILES String: C/C(C)=C\COC2OC(COC1OCC(O)C(O)C1O)C(O)C(O)C2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012148
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  8  7  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
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23  9  1  0  0  0  0
 24  8  1  0  0  0  0
 25  7  1  0  0  0  0
 26  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012148-3D
FYIcenter.com

 54 55  0  0  1  0  0  0  0  0999 V2000
    0.4731    1.9626    1.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9506    1.8736    1.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810    2.1275    3.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8334    1.6127    0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    1.5098    1.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9689    2.4312    0.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3985    2.4798    0.3376 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9726    3.4310   -0.5798 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7031    3.1095   -1.9643 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3044    4.2070   -2.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0110    3.9698   -4.2375 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6132    4.9772   -5.0650 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0763    6.2744   -4.7714 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6683    6.3682   -5.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155    6.1464   -6.5234 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1062    7.1564   -7.2905 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9439    4.7694   -6.9414 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7767    4.6002   -8.3547 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4269    4.6302   -6.5613 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9321    3.3254   -6.8656 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2917    1.7311   -2.3243 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7323    1.7392   -2.2614 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7966    0.6654   -1.3389 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4302   -0.5993   -1.5759 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1008    1.1126    0.0985 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7462    0.1062    1.0517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0743    2.3235    2.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0671    0.9992    1.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3053    2.6914    0.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5612    2.5159    3.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777    2.8788    3.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7407    1.2048    3.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4660    1.3872   -0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5774    0.4898    0.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6187    1.7009    2.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5995    2.8213    1.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6165    3.1019   -2.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3885    4.2618   -2.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8853    5.1736   -2.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6900    5.0046   -4.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3672    7.3821   -4.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1098    5.6608   -4.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3522    6.2407   -6.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8665    7.4565   -6.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3577    3.9762   -6.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1104    5.4238   -8.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0145    5.3315   -7.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2312    2.6856   -6.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0272    1.4475   -3.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0016    2.3527   -1.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225    0.5015   -1.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3473   -0.3967   -1.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1847    1.2453    0.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6329   -0.7244    0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  1  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-12, 1366👍, 0💬