Molecule Editor

Molecule ID: FYI-1000289 Edit

Molecule Structure SMILES String: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C=C4)O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000289
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    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    0.0000    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
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   13.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 O   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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  1  0  0  0  0
  3 24  1  6  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  1  0  0  0  0
  2 32  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000289-3D
FYIcenter.com

 50 53  0  0  1  0  0  0  0  0999 V2000
   -1.2264    1.5622    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4596    0.7692   -0.3736 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4207   -0.5956    0.3477 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2848   -1.3665   -0.0710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0890   -0.6927   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0614   -1.4850   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3144   -0.8759    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4328    0.5125    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2769    1.2916    0.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0070    0.7042    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3626    2.6539    0.1626 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5290   -1.5942   -0.0154 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8643   -3.4508    1.2389 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0158   -3.4086    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3252   -4.7087    0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5409   -5.2875    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4466   -4.5841   -0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1508   -3.2966   -0.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9449   -2.6972   -0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0398   -2.6107   -1.6808 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6337   -5.1509   -0.8555 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -6.5524    0.6909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6887   -1.4009    0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0519   -1.8130   -1.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1346   -2.6833   -0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6101   -6.0487   -0.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.3807   -3.4072   -1.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9717   -2.6397   -3.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7995    1.4903    0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 34  1  0  0  0  0
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  3 24  1  0  0  0  0
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  6 37  1  0  0  0  0
  7  8  2  0  0  0  0
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  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
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 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  END
$$$$