Molecule FYI-1003197

A

Molecule Summary:

ID: FYI-1003197
Names:
InChIKey: CDXJPGDTQSCRGD-BAMMHMRTSA-N
SMILES: O=C(O)C(O)C(O)C(O)C(O)C(O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Received at FYIcenter.com on: 2023-05-23

Molecule ID: FYI-1003197 Edit

Molecule Structure InChIKey: CDXJPGDTQSCRGD-BAMMHMRTSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003197
FYIcenter.com

 26 26  0  0  1  0  0  0  0  0999 V2000
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  6  8  1  6  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  1  0  0  0  0
  5 23  1  6  0  0  0
  4 24  1  1  0  0  0
  3 25  1  6  0  0  0
 26  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003197-3D
FYIcenter.com

 50 50  0     1  0  0  0  0  0999 V2000
   -2.8966   -0.6513    1.0884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6485   -1.3156   -0.8147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1702    2.2336   -1.5773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3795    2.9584    0.5488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7447   -0.4817   -2.4836 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7091   -2.5090   -1.9258 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9083   -1.4835    1.5908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5254   -0.1233    3.3890 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2246   -2.5623    0.8321 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2507    0.1504    1.6487 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9618    0.5351   -1.9603 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2273    2.5926    0.6615 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7570    2.4514   -1.5440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2336    1.3316   -0.9837 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0685    1.7117    0.4892 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7629   -0.0953   -1.1140 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2894    0.6349    1.2563 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9472   -1.0794   -0.2742 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4270   -2.5650   -0.5275 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1940   -1.4360    0.1956 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2487    0.9159    2.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0899   -2.5250   -0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7225   -1.5285   -0.0148 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4710   -0.2078    0.2831 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0563    0.9722   -0.6112 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0957    2.0759   -0.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2947    1.4542   -1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0554    1.8623    0.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8080   -0.1217   -0.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2538    0.5831    0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4920   -2.0327   -0.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7806   -3.5346   -0.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8358   -0.4795   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7584    1.8703    2.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2591    0.9248    3.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5538   -3.3501   -0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3212   -2.6628    0.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544   -1.8169   -1.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5477   -0.3941    0.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0205    2.1347   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4887    2.8268    0.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2651    0.1738   -2.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0955    1.4039   -0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2518   -3.2558   -2.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0149   -1.2096    1.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    0.0742    4.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8524   -3.4062    0.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5152   -0.6092    2.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    1.2683   -2.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9060    3.3000    0.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
  2 22  1  0  0  0  0
  3 14  1  0  0  0  0
  3 40  1  0  0  0  0
  4 15  1  0  0  0  0
  4 41  1  0  0  0  0
  5 16  1  0  0  0  0
  5 42  1  0  0  0  0
  6 19  1  0  0  0  0
  6 44  1  0  0  0  0
  7 20  1  0  0  0  0
  7 45  1  0  0  0  0
  8 21  1  0  0  0  0
  8 46  1  0  0  0  0
  9 23  1  0  0  0  0
  9 47  1  0  0  0  0
 10 24  1  0  0  0  0
 10 48  1  0  0  0  0
 11 25  1  0  0  0  0
 11 49  1  0  0  0  0
 12 26  1  0  0  0  0
 12 50  1  0  0  0  0
 13 26  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 21  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 32  1  0  0  0  0
 20 23  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

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2023-06-12, 1432👍, 0💬