Molecule Editor

Molecule ID: FYI-1001176 Edit

Molecule Structure SMILES String: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001176
FYIcenter.com

 48 47  0  0  0  0  0  0  0  0999 V2000
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   -2.6836   -2.0249    1.5642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636   -1.0433    2.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885    0.0521    0.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7943    0.8121    0.8900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4377    0.9738    1.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7397    0.1955    1.6242 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9255   -0.8614    0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1464   -0.3073   -0.6181 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3196   -1.2835   -1.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5191   -0.5789   -2.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3278    0.1296   -3.3384 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5481   -2.1414   -1.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7153   -1.3170   -1.3193 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670   -2.7956    0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5406   -3.5396    0.3734 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1382   -1.7023    1.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9533   -2.1615    2.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2193   -0.1504    1.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0904    1.4588   -0.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4530    4.5861   -0.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
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 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001176-3D
FYIcenter.com

 48 47  0  0  1  0  0  0  0  0999 V2000
   -0.8229    0.9917    1.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839   -0.9631    1.2903 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0915   -0.1687    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    1.2239    0.3691 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0475    1.6836    1.5732 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2422    1.2572    0.4643 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9132    0.8204   -0.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8515    1.7017   -1.8950 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5264    1.7309   -2.4307 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1658    0.4761   -3.0312 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6557    0.4796   -3.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064   -0.8316   -3.5764 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9796    0.2973   -4.3033 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7994    1.4241   -5.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4628    0.1999   -3.9093 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2511    0.1740   -5.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8850    1.3824   -3.0173 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2073    1.2185   -2.4939 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8201    2.6122    1.0160 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4363    3.7435    0.2026 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    2.9332    2.4745 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7308    1.8341    3.3282 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1758    4.1902    2.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0145    4.1824    3.8159 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2316    0.9739    2.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5273    0.4904    1.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1194    2.7078   -1.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4710    3.7444    0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5861    2.0399    3.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8932    5.1199    2.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
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M  END
$$$$