Molecule Editor

Molecule ID: FYI-1002087 Edit

Molecule Structure InChIKey: OFPJQOYOGGSWNY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3CC(OC1OC(CO)C(O)C(O)C1O)Cc2cc(O)cc(O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002087
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   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
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    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  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002087-3D
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
    1.4260    0.4672   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442    0.3822    0.1813 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4480   -1.0591    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9163   -1.8456    1.3448 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0913   -3.2794    1.2156 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053   -3.8254    0.0587 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9916   -3.5988    0.0953 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706   -4.4882    0.9631 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2180   -4.1160    0.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6872   -4.1296   -0.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041   -5.9527    0.5578 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1237   -6.2204   -0.8058 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9955   -6.2674    0.6779 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2079   -7.6288    0.2731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7921   -5.3021   -0.2107 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2044   -5.5099   -0.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6290   -1.2541    2.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397    0.2779    2.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0149    0.9618    3.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0391    2.3624    3.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3910    3.0622    4.9412 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7059    3.1147    2.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3522    2.4507    1.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0202    3.1666    0.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3271    1.0449    1.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1467    0.0080   -0.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0806    1.5055   -0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8588   -0.0273    0.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4432    0.9081   -0.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5487   -1.0833    0.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738   -1.4761   -0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8440   -1.6879    1.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7764   -3.3094   -0.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6128   -4.3322    1.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8250   -4.8223    1.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0787   -6.6349    1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6746   -7.7454   -0.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5413   -5.5332   -1.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1424   -1.6390    3.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2895    0.4009    4.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6324    2.4370    5.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    4.1970    2.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9386    4.1039    0.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
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  7  8  1  0  0  0  0
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  8 11  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
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 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  2  0  0  0  0
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 20 21  1  0  0  0  0
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 21 47  1  0  0  0  0
 22 23  2  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
$$$$