Molecule FYI-1004409

A

Molecule Summary:

ID: FYI-1004409
Names:
InChIKey: KXBBMPIYFWYLLN-UBKAGWGGSA-N
SMILES: CC[C@@H]4CN3CC[C@@]2(O)C(=Nc1cccc(OC)c12)[C@@H]3CC4[C@@H](COC5OC(C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)OC

Received at FYIcenter.com on: 2023-09-05

Molecule ID: FYI-1004409 Edit

Molecule Structure InChIKey: KXBBMPIYFWYLLN-UBKAGWGGSA-N

Molecule Structure SMILES String: CC[C@@H]4CN3CC[C@@]2(O)C(=Nc1cccc(OC)c12)[C@@H]3CC4[C@@H](COC5OC(C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004409
FYIcenter.com

 41 45  0  0  1  0  0  0  0  0999 V2000
    0.0000    6.3000    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
    2.4249    6.3000    0.0000 C   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
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    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
    6.2085   11.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    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 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
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    7.9674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6089    9.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1783   10.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3555   11.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9631   11.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1402   12.6442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7478   12.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937   10.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  6  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  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
  9 11  1  1  0  0  0
 10 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 30 12  1  6  0  0  0
 14 16  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 19 20  1  1  0  0  0
 12 15  1  0  0  0  0
 22 19  1  0  0  0  0
 22  9  1  0  0  0  0
 15 21  1  0  0  0  0
 22 24  1  6  0  0  0
 25  5  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29  4  1  0  0  0  0
 30 29  1  0  0  0  0
 21 31  1  0  0  0  0
 32 30  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 38  2  0  0  0  0
 41 34  1  0  0  0  0
 31 41  1  0  0  0  0
 31 32  1  0  0  0  0
 31 23  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-09-16, 1329👍, 0💬