Molecule FYI-1014122

A

Molecule Summary:

ID: FYI-1014122
Names:
InChIKey: TUWICKBBBMJBPV-NDBYEHHHSA-N
SMILES: O=N(=O)c2ccc(CN1[C@H](CO)[C@H](O)[C@@H](O)[C@H]1CO)cc2

Received at FYIcenter.com on: 2025-03-03

Molecule ID: FYI-1014122 Edit

Molecule Structure InChIKey: TUWICKBBBMJBPV-NDBYEHHHSA-N

Molecule Structure SMILES String: O=N(=O)c2ccc(CN1[C@H](CO)[C@H](O)[C@@H](O)[C@H]1CO)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014122
FYIcenter.com

 21 22  0  0  1  0  0  0  0  0999 V2000
    6.0330    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    1.5985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    0.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8828    2.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    3.6985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    4.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    2.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7066    6.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    0.7361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    5.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3739    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  2  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
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 15 14  1  0  0  0  0
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 15 16  1  6  0  0  0
 17 16  1  0  0  0  0
 18 20  1  0  0  0  0
 14 19  1  6  0  0  0
 12 20  1  1  0  0  0
 13 21  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014122-3D
FYIcenter.com

 39 40  0  0  1  0  0  0  0  0999 V2000
    2.4164    0.4711   -1.5246 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4518    0.5228   -0.8409 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2698    1.4502   -0.8735 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7338   -0.6094    0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7994   -1.6446    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1239   -2.7766    0.9258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3984   -2.9179    1.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -4.2021    2.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4451   -5.4573    1.5460 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6956   -5.8292    0.1454 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0543   -4.7591   -0.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3460   -5.3434   -2.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -6.7072   -0.2557 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3788   -5.9904   -0.8247 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0045   -7.2988    1.0706 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7073   -8.5211    1.3044 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2747   -6.1585    2.0849 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5091   -6.6759    3.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6892   -7.4850    3.5557 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2850   -1.8205    1.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9603   -0.6712    0.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8352   -1.5992   -0.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3975   -3.5826    0.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6369   -4.1570    3.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9798   -4.2141    2.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5617   -6.5054    0.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9449   -4.2023   -0.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5546   -5.8032   -2.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929   -7.4902   -0.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918   -5.2436   -1.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9318   -7.5303    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -8.4561    2.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -5.4882    2.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364   -5.8593    4.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6663   -7.2880    3.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3967   -6.9374    3.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2555   -1.8758    1.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6838    0.1379    0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  1  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  6  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 32  1  6  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  1  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
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 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
$$$$

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2025-03-12, 520👍, 0💬