Molecule FYI-1016569

A

Molecule Summary:

ID: FYI-1016569
Names:
InChIKey: BLLCKERQNRSXGU-GWJPIIGYSA-N
SMILES: C2[C@@H]3[C@@H]1O[C@@H]1[C@H]2[C@H]4O[C@@H]34

Received at FYIcenter.com on: 2026-01-22

Molecule ID: FYI-1016569 Edit

Molecule Structure InChIKey: BLLCKERQNRSXGU-GWJPIIGYSA-N

Molecule Structure SMILES String: C2[C@@H]3[C@@H]1O[C@@H]1[C@H]2[C@H]4O[C@@H]34

Download SDF Download SVG Structure in 2D SDF:

FYI-1016569
FYIcenter.com

  9 12  0  0  0  0  0  0  0  0999 V2000
    3.6353    0.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    0.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3262    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717    1.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  1  0  0  0
  6  7  1  1  0  0  0
  4  8  1  1  0  0  0
  5  8  1  1  0  0  0
  2  9  1  6  0  0  0
  1  9  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016569-3D
FYIcenter.com

 17 20  0  0  1  0  0  0  0  0999 V2000
    0.2716   -0.0823    1.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526    1.1225    0.3807 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9736    0.8189   -0.4796 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0225    0.0299    0.0908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9843   -0.6806   -0.5922 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2399   -1.1209    0.2048 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5040   -0.7010   -0.5496 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3878    0.1594   -1.6829 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5196    0.8094   -0.4189 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6019   -0.1278    2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885   -0.1327    1.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455    2.1031    0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1359    1.4286   -1.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1604   -1.1575   -1.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2271   -2.1626    0.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4041   -1.2632   -0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    1.2937   -0.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  6  0  0  0
  6  7  1  0  0  0  0
  6 15  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  1  0  0  0
  8  9  1  0  0  0  0
  9 17  1  1  0  0  0
M  END
$$$$

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2026-04-13, 652👍, 0💬