Molecule FYI-1006368

A

Molecule Summary:

ID: FYI-1006368
Names:
InChIKey: AMMNBUZFYSWLDF-ILYJUXTPSA-N
SMILES: CC[C@H](OC)[C@@H](C)[C@H]1O[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C(C)/[C@H]2OCC[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]2C.C=O

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006368 Edit

Molecule Structure InChIKey: AMMNBUZFYSWLDF-ILYJUXTPSA-N

Molecule Structure SMILES String: CC[C@H](OC)[C@@H](C)[C@H]1O[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C(C)/[C@H]2OCC[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]2C.C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006368
FYIcenter.com

 41 41  0  0  1  0  0  0  0  0999 V2000
   19.4032    1.4012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1897    2.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9763    1.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7627    2.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3358    2.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7627    6.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9763    5.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9763    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1897    3.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4021    4.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1897    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6146    3.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6146    2.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8270    4.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7627    7.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    7.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    7.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1234    4.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3358    3.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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
  9  8  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13  2  1  0  0  0  0
 13 14  1  6  0  0  0
  2 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 19  1  0  0  0  0
 10 20  1  1  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  1  0  0  0
 27 32  1  1  0  0  0
 29 33  1  6  0  0  0
 28 33  1  6  0  0  0
 30 34  1  1  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  1  1  0  0  0
 38 39  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006368-3D
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