Molecule FYI-1007423

A

Molecule Summary:

ID: FYI-1007423
Names:
InChIKey: CMJDFSMZQLPHGD-ROYKXYEVSA-N
SMILES: O=C(N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)c3ccc(c2ccccc2)cc3

Received at FYIcenter.com on: 2024-02-22

Molecule ID: FYI-1007423 Edit

Molecule Structure InChIKey: CMJDFSMZQLPHGD-ROYKXYEVSA-N

Molecule Structure SMILES String: O=C(N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)c3ccc(c2ccccc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007423
FYIcenter.com

 26 28  0  0  1  0  0  0  0  0999 V2000
    4.8497    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    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
    4.8497    4.9000    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
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  6  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 11 12  1  6  0  0  0
 13 11  1  0  0  0  0
 13  4  1  0  0  0  0
 13 14  1  1  0  0  0
 15  2  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
 26 25  2  0  0  0  0
 26 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007423-3D
FYIcenter.com

 47 49  0     1  0  0  0  0  0999 V2000
   -4.7528    1.2058   -0.1860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0018   -2.3208    1.0541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5384   -2.3913   -0.3090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0096    0.9662   -1.7694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3117    1.4202   -1.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7510    1.3911    1.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3170   -0.0937    0.2684 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7488   -0.0079    0.4423 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4304   -1.3377    0.1096 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9530   -1.1968    0.2032 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4490    0.0204   -0.5861 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3400    1.1328   -0.3920 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9365    0.2799   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287    0.6245    1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105    0.4466    0.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9203    1.4645    1.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4522   -0.7382    0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7133    0.1125    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2717    1.2974    0.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8035   -0.9052   -0.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1149   -0.0608   -0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6807   -1.3357   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9003    1.0464   -0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0320   -1.5033   -0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2516    0.8790   -0.8101 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8176   -0.3959   -0.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9406    0.2120    1.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1332   -1.7017   -0.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2493   -1.1143    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2960   -0.1268   -1.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9102    2.0860   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1414    0.4923    0.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5431   -0.5719   -0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9836   -0.6203   -0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2515   -2.0160    1.9431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3107   -2.4569   -1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0159    1.8502   -2.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2595    1.5688   -0.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5955    2.3939    1.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7812   -1.5641   -0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9472    2.1050    0.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0969   -1.8347   -0.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1168   -2.2233    0.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4972    2.0538   -0.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4748   -2.4949   -0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8622    1.7401   -1.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8697   -0.5262   -1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 35  1  0  0  0  0
  3 10  1  0  0  0  0
  3 36  1  0  0  0  0
  4 12  1  0  0  0  0
  4 37  1  0  0  0  0
  5 13  1  0  0  0  0
  5 38  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 39  1  0  0  0  0
 17 20  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  2  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
$$$$

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2024-02-28, 193👍, 0💬