Molecule FYI-1014549

A

Molecule Summary:

ID: FYI-1014549
Names:
InChIKey: CQGNDSVEKMEEKP-OZRWLHRGSA-N
SMILES: C[H](C)(O[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)=[C+2](C)(C)(C)C

Received at FYIcenter.com on: 2025-04-26

Molecule ID: FYI-1014549 Edit

Molecule Structure InChIKey: CQGNDSVEKMEEKP-OZRWLHRGSA-N

Molecule Structure SMILES String: C[H](C)(O[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)=[C+2](C)(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014549
FYIcenter.com

 31 31  0  0  1  0  0  0  0  0999 V2000
    4.0016    5.6541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0429    2.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016    0.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9602    2.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9602    5.6541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0429    7.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5223    3.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016    2.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5223    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4809    3.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4809    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0429    5.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0845    1.7082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0900    3.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0899    0.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3024    2.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3023    1.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8775    1.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  7  2  1  6  0  0  0
  2 20  1  0  0  0  0
  8  3  1  1  0  0  0
  3 21  1  0  0  0  0
 10  4  1  6  0  0  0
  4 22  1  0  0  0  0
  5 11  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 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  1  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 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
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 25 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014549-3D
FYIcenter.com

 49 49  0  0  1  0  0  0  0  0999 V2000
    0.1026   -0.6374   -2.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1722    0.1123   -1.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4630    0.8420   -0.7263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9656    0.1038   -2.0356 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254   -0.3813   -1.8738 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5527   -1.9435   -1.7642 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9799   -2.7029   -2.8180 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9024   -2.3293   -1.6044 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6565   -2.0074   -2.7684 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0102   -2.7197   -2.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8180   -4.1055   -2.5443 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7572   -0.4733   -2.9067 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5483   -0.1041   -4.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3257    0.1330   -3.0308 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3669    1.5397   -3.0540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4738    0.1697   -1.6171 C   0  2  0  0  0  0  0  0  0  0  0  0
   -2.9491    0.4669   -0.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3807   -0.9051   -0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3802   -0.5191   -2.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5299    1.7616   -1.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -1.7129   -2.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0139   -0.2039   -3.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0169    0.2904    0.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174    1.2718    0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9647    1.8630   -0.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8805    0.0346   -0.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0061   -2.2281   -0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
  2 16  2  0  0  0  0
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  3 26  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 30  1  6  0  0  0
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 16 17  1  0  0  0  0
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 20 49  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1551👍, 0💬