Molecule FYI-1014831

A

Molecule Summary:

ID: FYI-1014831
Names:
InChIKey: APAYESBRDKIJHE-YBTJCZCISA-N
SMILES: C=C(C)O[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)=O

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

Molecule ID: FYI-1014831 Edit

Molecule Structure InChIKey: APAYESBRDKIJHE-YBTJCZCISA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014831
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    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
    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
    2.4249    6.3000    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
    0.0000    3.5000    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
    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
    3.6373    0.0000    0.0000 O   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
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  1  0  0  0
  2 17  1  6  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014831-3D
FYIcenter.com

 36 36  0  0  1  0  0  0  0  0999 V2000
    3.1008    1.9484    1.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4259    1.8250    1.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4070    2.3716    2.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0407    1.2232    0.4259 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3215    0.8841   -0.7713 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8491    1.7778   -1.9178 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2731    1.8224   -1.9924 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3266    1.3508   -3.1715 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7532    0.0246   -3.5191 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3120   -0.2244   -4.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9050   -0.0495   -5.1069 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890   -1.0008   -2.5170 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6881   -2.3154   -2.8046 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5852   -0.6016   -1.0757 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0337   -1.5013   -0.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963   -1.5335    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3467   -2.4834    1.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8665   -0.8522   -0.4355 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7324    2.4409    2.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    1.5670    1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9728    3.1780    3.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2833    2.7835    1.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7435    1.5791    3.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2482    1.0598   -0.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5146    2.8061   -1.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6225    1.3743   -1.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8504   -0.0280   -3.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7924    0.5041   -5.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5826   -1.2275   -5.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085    0.8217   -4.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0988   -1.0483   -2.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6564   -2.3131   -2.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6649   -0.7743   -0.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2131   -3.0820    1.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5641   -3.1720    0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9956   -1.9190    2.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5  4  1  0  0  0  0
  5 24  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  1  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  6  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$

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2025-06-21, 1405👍, 0💬