Molecule FYI-1014565

A

Molecule Summary:

ID: FYI-1014565
Names:
InChIKey: VIVJVCKOJIDEPR-FMCLSXCISA-N
SMILES: O=c2[nH]c(=O)n([C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)cc2c3ccccc3

Received at FYIcenter.com on: 2025-04-29

Molecule ID: FYI-1014565 Edit

Molecule Structure InChIKey: VIVJVCKOJIDEPR-FMCLSXCISA-N

Molecule Structure SMILES String: O=c2[nH]c(=O)n([C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)cc2c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014565
FYIcenter.com

 23 25  0  0  1  0  0  0  0  0999 V2000
    6.2183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6489    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4718    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8642    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8259    0.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6488    1.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0793    3.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6870    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    3.8368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    5.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2948    2.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    6.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9949    8.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2566    1.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    5.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  2  0  0  0  0
 11 10  1  0  0  0  0
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 20 17  1  0  0  0  0
 20 21  1  1  0  0  0
 22 21  1  0  0  0  0
 19  2  1  0  0  0  0
 23 20  1  0  0  0  0
 23 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014565-3D
FYIcenter.com

 39 41  0  0  1  0  0  0  0  0999 V2000
    1.0582    0.1010    0.1133 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793    0.0346    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0608    1.1528    0.0887 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4121    1.2084   -0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9795    2.2956   -0.2028 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0418   -0.0159   -0.3143 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4850    0.0099   -0.5298 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8899   -1.0746   -1.3931 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0900   -1.6734   -0.8397 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0524   -1.9529   -1.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4552   -2.8797   -2.8968 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6122   -0.7100    0.2226 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4483    0.3315   -0.3048 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3227   -0.1013    0.7555 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5638    1.1404    1.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3377   -1.2070   -0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0066   -1.2541   -0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3025   -2.5408   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044   -3.2495    1.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4650   -4.4913    1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200   -5.0312   -0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063   -4.3282   -1.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455   -3.0865   -1.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9946   -2.3763   -1.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5939   -2.4946   -3.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0896    0.6490   -1.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8467   -0.7815    1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3436    1.5432    0.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9129   -2.1216   -0.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369   -2.8382    2.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3094   -5.0356    1.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5217   -5.9973   -0.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8501   -4.7450   -2.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9764   -2.5471   -2.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  6  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  1  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
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 12 30  1  1  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  1  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
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 19 35  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1587👍, 0💬