Molecule Editor

Molecule ID: FYI-1012188 Edit

Molecule Structure InChIKey: BGHMHTHMLDKWCL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC13CCC(CC1)C(C)(COC2OC(CO)C(O)C(O)C2O)O3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012188
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
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    2.3694    2.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3786    3.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1602    3.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5750    2.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    1.6650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6794    2.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7216    3.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8684    2.9794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0150    3.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3083    4.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0150    4.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0150    7.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4551    5.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4551    2.9794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1617    1.6553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012188-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
    0.8148    0.9231   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    0.5307    0.0490 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4965   -0.9350   -0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9648   -1.3193   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7572   -0.0658    0.2578 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2062    0.3388    1.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7354    0.7452    1.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4869    1.0784   -0.7685 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2206    2.3738   -0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8835    0.6964   -2.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2507    0.2950   -2.3128 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737    0.1116   -3.6741 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0261   -0.9884   -4.3173 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3054   -2.2789   -3.7420 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$