Molecule FYI-1014518

A

Molecule Summary:

ID: FYI-1014518
Names:
InChIKey: SAVULVWWCAVQTC-LCJYRESISA-N
SMILES: CCC(=O)O[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O

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

Molecule ID: FYI-1014518 Edit

Molecule Structure InChIKey: SAVULVWWCAVQTC-LCJYRESISA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014518
FYIcenter.com

 16 16  0  0  1  0  0  0  0  0999 V2000
    6.0621    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    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
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   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
    1.2124    4.2000    0.0000 C   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
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
  5  6  1  6  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  8  1  1  0  0  0  0
  4  9  1  1  0  0  0
  3 10  1  6  0  0  0
  2 11  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014518-3D
FYIcenter.com

 32 32  0  0  1  0  0  0  0  0999 V2000
    4.0264    2.4332   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8463    0.9241   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4178    0.3805    1.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0594    1.0296    2.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1627   -0.9558    1.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8235   -1.6029    2.4677 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3307   -1.7955    2.1779 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0870   -2.2368    3.2945 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5409   -2.6621    1.0573 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9629   -3.9688    1.2057 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2937   -4.7697   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8606   -4.0691   -1.2268 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503   -3.8995    1.4591 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9629   -5.2138    1.7583 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844   -2.9812    2.6614 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7750   -2.8926    2.9012 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6235    2.8088   -1.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0876    2.7109   -0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5100    2.9454    0.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3595    0.4441   -0.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792    0.6864   -0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6529   -1.0109    3.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7704   -0.8401    1.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5942   -2.9020    3.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4455   -4.4838    2.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3776   -4.9006   -0.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -5.7601   -0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3013   -3.2001   -1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9075   -3.5244    0.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2482   -5.1147    2.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5901   -3.4578    3.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4007   -2.2810    2.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 22  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  1  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  6  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  1  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$

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2025-05-12, 2032👍, 0💬