Molecule Editor

Molecule ID: FYI-1015352 Edit

Molecule Structure InChIKey: MLCWPKZBRCLSEC-JVTNLNQISA-N

Molecule Structure SMILES String: O=C(N[C@@H]1C(O)O[C@@H](CO)[C@H](O)[C@H]1O)c3cccc(C2CCCCC2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015352
FYIcenter.com

 26 28  0  0  1  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1061    3.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4359    3.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8200    5.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8638    6.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5777    7.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2477    7.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2040    6.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4901    5.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8741    7.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5879    8.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2580    9.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    8.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5004    6.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8303    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  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
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  4  8  1  1  0  0  0
  8  9  1  0  0  0  0
  3 10  1  6  0  0  0
  2 11  1  1  0  0  0
  1 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015352-3D
FYIcenter.com

 53 55  0  0  1  0  0  0  0  0999 V2000
    0.9992   -0.0599   -0.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247   -0.0934   -0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8813   -1.0044   -1.0540 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1004   -2.0739   -1.7045 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8879   -3.3098   -0.7746 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6237   -3.9312   -0.9492 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9402   -4.2766   -0.8087 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3813   -4.7081   -2.1056 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4020   -5.6330   -2.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -6.8382   -2.1386 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393   -3.4778   -2.9029 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9270   -2.8410   -2.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6999   -2.4671   -3.0651 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6931   -3.0246   -3.9213 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0323    0.8387    0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4400    1.2698    1.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1101    2.1807    2.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3677    2.6499    2.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0136    2.1949    1.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4294    2.6310    0.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3693    1.4240    0.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508    0.7478    1.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3953    1.7221    2.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5834    2.9974    2.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1309    3.6244    1.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2999    1.3056    0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8852   -1.1273   -0.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1060   -1.6518   -1.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8703   -2.9514    0.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822   -3.9055   -1.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2715   -5.3122   -1.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220   -5.9142   -3.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4295   -5.1815   -3.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773   -7.1668   -1.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2141   -3.7896   -3.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9302   -3.1992   -1.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0809   -1.5676   -3.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8870   -2.4798   -3.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595    0.9144    2.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9279    0.6790   -0.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4520   -0.0698    1.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8641    0.2927    2.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3963    1.9864    2.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    1.2273    3.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1805    3.7281    3.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7247    2.7684    3.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0244    4.0113    1.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4982    4.4981    1.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7319    1.0047   -0.7350 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
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  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 28  1  6  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 31  1  1  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  6  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  6  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  2  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 53  1  0  0  0  0
M  END
$$$$