Molecule FYI-1004422

A

Molecule Summary:

ID: FYI-1004422
Names:
InChIKey: KXBBMPIYFWYLLN-GHHLGMASSA-N
SMILES: CC[C@@H]4CN3CC[C@@]2(O)C(=Nc1cccc(OC)c12)[C@@H]3C[C@@H]4[C@H](CO[C@H]5O[C@@H](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-1004422 Edit

Molecule Structure InChIKey: KXBBMPIYFWYLLN-GHHLGMASSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1004422
FYIcenter.com

 41 45  0  0  1  0  0  0  0  0999 V2000
   10.9119    1.4000    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
    9.6995    3.5000    0.0000 C   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
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   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
    3.6373    4.2000    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
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    7.3937   10.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9631   11.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1401   12.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7478   12.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3554   11.6580    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
    9.6089    9.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086   11.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    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
    3.6373    8.4000    0.0000 N   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
    2.4249    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
    0.0000    6.3000    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
    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
   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
    8.4871    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
    6.0621    1.4000    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  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  6  1  0  0  0  0
  8  7  1  6  0  0  0
  9  8  1  0  0  0  0
  9 10  1  6  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 22 12  1  0  0  0  0
 22 23  1  1  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 11 26  1  6  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28  9  1  0  0  0  0
 28 29  1  6  0  0  0
 30 29  1  0  0  0  0
 31  8  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 31  2  0  0  0  0
  3 35  1  1  0  0  0
 36 35  1  0  0  0  0
 37 35  2  0  0  0  0
 38  2  1  0  0  0  0
 39 38  1  0  0  0  0
 39  5  1  0  0  0  0
 39 40  1  6  0  0  0
 38 41  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2023-09-16, 1164👍, 0💬