Molecule FYI-1014864

A

Molecule Summary:

ID: FYI-1014864
Names:
InChIKey: MXTSNLGDJVRMEB-KAWRWRDHSA-N
SMILES: CC(=O)O[C@@H]1[C@H](C)OC(O)[C@@H](O)[C@@H]1O

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

Molecule ID: FYI-1014864 Edit

Molecule Structure InChIKey: MXTSNLGDJVRMEB-KAWRWRDHSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014864
FYIcenter.com

 14 14  0  0  1  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    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
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
  3 12  1  1  0  0  0
  2 13  1  6  0  0  0
 14  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014864-3D
FYIcenter.com

 28 28  0  0  1  0  0  0  0  0999 V2000
    1.0781    1.8453    0.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    1.2457    1.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8668    0.9619    2.1367 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1349    1.1970   -0.1316 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5785    1.1453   -0.0036 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1384    2.5846   -0.0068 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6395    3.4305    1.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7677    3.2749   -1.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1904    2.6421   -2.4161 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5964    2.7981   -2.5894 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7371    1.1669   -2.5157 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2609    0.5267   -3.6837 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    0.4192   -1.2352 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7231   -0.9464   -1.2516 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673    1.7572    1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5733    1.3329   -0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2008    2.9091    0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8675    0.5976    0.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2335    2.5520    0.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5685    3.6388    1.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1310    4.4091    1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    2.9481    2.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7352    3.1971   -3.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0624    2.1792   -2.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6460    1.1303   -2.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2307    0.6090   -3.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2391    0.3781   -1.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526   -0.9562   -1.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  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 18  1  1  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  1  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  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 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  6  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  1  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

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2025-06-21, 923👍, 0💬