Molecule FYI-1014867

A

Molecule Summary:

ID: FYI-1014867
Names:
InChIKey: OVRNDRQMDRJTHS-YTWDBIDXSA-N
SMILES: CC(=O)N[C@@H]1C(O)O[C@@H](CO)[C@@H](O)[C@H]1O

Received at FYIcenter.com on: 2025-06-01

Molecule ID: FYI-1014867 Edit

Molecule Structure InChIKey: OVRNDRQMDRJTHS-YTWDBIDXSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014867
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  4  8  1  1  0  0  0
  8  9  1  0  0  0  0
  2 10  1  1  0  0  0
  1 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014867-3D
FYIcenter.com

 30 30  0     1  0  0  0  0  0999 V2000
   -1.6165   -1.0285    0.3609 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9628    2.1409   -0.3311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3315    1.6891    1.1667 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1489   -2.5061    0.7266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4217   -0.7124   -0.5442 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2939    0.7171    0.9364 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9762   -0.5902   -0.4680 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385    1.0180   -0.6336 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6858   -0.2249    0.0772 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3033    1.3079   -0.2104 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1639    0.0553   -0.3986 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2997   -1.3969   -0.0526 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5989    0.2617    0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1694   -0.0835    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3600   -0.6473   -0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1771    0.8666   -1.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8371    0.0046    1.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951    2.1527   -0.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1700   -0.2382   -1.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3444   -1.7360   -1.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9738    1.2449   -0.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6915    0.1499    1.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9956   -1.2082   -1.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5904    2.9104   -0.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2183    2.0362    1.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2120   -3.3095    0.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3304   -0.5590   -0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2498   -0.4905   -1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2708   -0.1449   -0.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4440   -1.7179   -0.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 24  1  0  0  0  0
  3 10  1  0  0  0  0
  3 25  1  0  0  0  0
  4 12  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  2  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
$$$$

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