Molecule FYI-1014517

A

Molecule Summary:

ID: FYI-1014517
Names:
InChIKey: OEXFUKVTSUKMQY-HVOFTBNLSA-N
SMILES: CO[C@H]1C(O)O[C@H](OO)[C@H](O)[C@@H]1O

Received at FYIcenter.com on: 2025-04-25

Molecule ID: FYI-1014517 Edit

Molecule Structure InChIKey: OEXFUKVTSUKMQY-HVOFTBNLSA-N

Molecule Structure SMILES String: CO[C@H]1C(O)O[C@H](OO)[C@H](O)[C@@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014517
FYIcenter.com

 13 13  0  0  1  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   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
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    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
  5  7  1  6  0  0  0
  8  7  1  0  0  0  0
  4  9  1  6  0  0  0
  3 10  1  6  0  0  0
  2 11  1  1  0  0  0
 12 11  1  0  0  0  0
 13  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014517-3D
FYIcenter.com

 25 25  0  0  1  0  0  0  0  0999 V2000
    2.3270   -0.7245    2.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    0.6116    2.4158 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    0.7021    1.0909 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8485    2.1671    0.6353 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4489    3.0345    1.5909 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4099    2.3733   -0.6547 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8176    2.1205   -0.6873 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2775    2.3580   -2.0298 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7339    2.2685   -1.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0732    0.6472   -0.3237 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4461   -0.2448   -1.2839 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4788    0.3068    1.0448 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6439   -1.1074    1.2579 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5633   -0.7483    3.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2766   -1.0255    3.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0325   -1.4253    2.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4079    0.0542    0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872    2.4329    0.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2262    2.6451    2.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3377    2.8106   -0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8192    1.6310   -2.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1401    0.4045   -0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9789    0.3260   -1.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0253    0.8144    1.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5109   -1.5207    0.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3  2  1  0  0  0  0
  3 17  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  1  0  0  0
  8  9  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  1  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  1  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1745👍, 0💬