Molecule Editor

Molecule ID: FYI-1015824 Edit

Molecule Structure InChIKey: ZJDOESGVOWAULF-OGJQONSISA-N

Molecule Structure SMILES String: O=C(O)C2=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]3C(CO)=CC[C@H]23

Download SDF Download SVG Structure in 2D SDF:

FYI-1015824
FYIcenter.com

 26 28  0  0  1  0  0  0  0  0999 V2000
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    1.3693    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    4.7437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1797    4.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1166    5.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6840    6.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6207    7.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9900    7.5738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1881    9.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1248   10.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8186    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3860   10.8190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8819    8.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5124    8.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5757    7.6977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3145    7.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    3.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6755    2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3163    2.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3755    0.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7450    1.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8913    2.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1037    3.2518    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  1  0  0  0
  8  7  1  6  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
 11  9  1  0  0  0  0
 11 12  1  6  0  0  0
 13 11  1  0  0  0  0
 13 14  1  1  0  0  0
 15 13  1  0  0  0  0
 15 16  1  6  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19  6  1  0  0  0  0
 20  2  2  0  0  0  0
 21 19  1  0  0  0  0
 21  3  1  0  0  0  0
 22 26  1  0  0  0  0
 21 23  1  6  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 19 25  1  6  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015824-3D
FYIcenter.com

 48 50  0     1  0  0  0  0  0999 V2000
   -0.4210    0.4017   -0.9856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0558   -0.6455    0.3083 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285    1.7641   -0.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1520    2.6113   -1.3451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9865    1.8295   -1.1588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4615    0.3126    1.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6808   -2.5817   -2.8707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160   -2.3939    2.3986 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173    0.5627    0.1468 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0273    2.1216    1.6713 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.5036   -0.9051 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2073   -0.3945   -0.2650 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7778    0.4098   -0.2094 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2867   -1.5462    0.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5025   -1.9707   -0.7172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704    0.6086   -0.1654 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6330    1.3093   -1.0120 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9544    1.4352   -0.2535 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3144   -2.5303    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    0.9533    0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3606    0.1022    0.3753 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1952   -0.5062    1.1590 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4260   -2.6605   -1.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207    1.9063    0.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5390   -1.8913    1.6977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7951    1.2963    0.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8714   -0.2529   -1.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9362   -0.5863   -1.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9890   -1.2513    1.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2973   -1.9651    0.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072    1.2501    0.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2708   -3.5649    0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6965   -0.5843   -0.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1696    0.9115    1.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376   -3.0098   -3.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6670   -2.4139    1.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6300    0.7645    0.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  2 22  1  0  0  0  0
  3 13  1  0  0  0  0
  3 24  1  0  0  0  0
  4 17  1  0  0  0  0
  4 43  1  0  0  0  0
  5 18  1  0  0  0  0
  5 44  1  0  0  0  0
  6 21  1  0  0  0  0
  6 45  1  0  0  0  0
  7 23  1  0  0  0  0
  7 46  1  0  0  0  0
  8 25  1  0  0  0  0
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  9 26  1  0  0  0  0
  9 48  1  0  0  0  0
 10 26  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 19  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 19  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 24  2  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 25  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$