Molecule FYI-1014869

A

Molecule Summary:

ID: FYI-1014869
Names:
InChIKey: GGBMXSIINWDYBS-ZKZCYXTQSA-N
SMILES: CC(=O)O[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O

Received at FYIcenter.com on: 2025-06-02

Molecule ID: FYI-1014869 Edit

Molecule Structure InChIKey: GGBMXSIINWDYBS-ZKZCYXTQSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014869
FYIcenter.com

 18 18  0  0  1  0  0  0  0  0999 V2000
    3.6373    5.6000    0.0000 C   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
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   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
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  8  1  1  0  0  0  0
  4  9  1  1  0  0  0
  3 10  1  6  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
  2 14  1  1  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 18  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014869-3D
FYIcenter.com

 34 34  0     1  0  0  0  0  0999 V2000
    2.0411    1.2048   -0.3238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8767   -1.7092   -0.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651    0.9615    0.3415 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019   -2.4353    0.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8010    1.7681    1.6167 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7066    0.6955   -0.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2985   -1.6078    1.2826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0439    2.3450   -1.4456 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350   -0.8243    0.1196 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4524   -1.1671   -0.3434 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3163    0.6162   -0.2473 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4567   -0.0967    0.1052 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7704    1.5945    0.2011 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8470   -0.3351   -0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0059   -2.0156    0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    1.8407   -0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8621   -2.9460   -0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6101    2.1106    0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0254   -0.9689    1.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4636   -1.2694   -1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3910    0.6444   -1.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5509   -0.0876    1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5395    2.5795   -0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8225   -0.2953   -1.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2535   -1.3000   -0.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8316   -2.3459    1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1485    2.6595    1.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5835    0.5264   -0.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1587   -2.4615   -1.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7645   -3.1905   -0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162   -3.8710   -0.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1694    1.1799    0.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2213    2.8105   -0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3889    2.5595    1.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4 10  1  0  0  0  0
  4 26  1  0  0  0  0
  5 13  1  0  0  0  0
  5 27  1  0  0  0  0
  6 14  1  0  0  0  0
  6 28  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
$$$$

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2025-06-21, 910👍, 0💬