Molecule FYI-1014828

A

Molecule Summary:

ID: FYI-1014828
Names:
InChIKey: AXIAMFQLUPBYLE-AFJIUZQRSA-N
SMILES: CC(=O)O[C@@H]1C(O)O[C@@H](C)[C@@H](O)[C@H]1OC(C)=O

Received at FYIcenter.com on: 2025-05-27

Molecule ID: FYI-1014828 Edit

Molecule Structure InChIKey: AXIAMFQLUPBYLE-AFJIUZQRSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014828
FYIcenter.com

 17 17  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
    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  1  0  0  0
  7  5  1  0  0  0  0
  7  1  1  0  0  0  0
  4  8  1  1  0  0  0
  3  9  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
  2 13  1  6  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014828-3D
FYIcenter.com

 33 33  0  0  1  0  0  0  0  0999 V2000
    1.1136    1.7424   -0.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5976    1.8759   -0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1538    2.7880    0.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2401    0.8655   -0.8168 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6859    0.9445   -0.8095 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1915    1.9816   -1.8469 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5607    2.3185   -1.6713 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9352    1.5924   -3.1958 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564    0.2859   -3.5913 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8442    0.2383   -3.9457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896   -0.7982   -2.6060 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3322   -2.0809   -3.0482 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2545   -0.4477   -1.1449 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6912   -0.3912   -0.9227 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3465   -1.5736   -0.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -1.3752   -0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983   -2.6729   -0.8457 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6147    2.4205    0.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8023    0.7226   -0.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8227    2.0016   -1.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0389    1.2238    0.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6383    2.9160   -1.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0160    1.5410   -1.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8386    0.0895   -4.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4970    0.4233   -3.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    1.0134   -4.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1194   -0.7324   -4.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7928   -0.8317   -2.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8651   -2.5143   -2.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8183   -1.1942   -0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0639   -0.3297   -0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2847   -1.6583   -1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2196   -1.9899    0.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  6  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  6  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1146👍, 0💬