Molecule Editor

Molecule ID: FYI-1010318 Edit
Molecule Structure InChIKey: KRDDIOSQXDNLBO-CJXMFNIXSA-N
Molecule Structure SMILES String: CCC(O)C(C)C(O)CC(O)C(O)/C=C(C)\CC(C)C1CC(O)C(C)/C=C\C=C/CC(C)C(=O)CC2CCC(C)C(O)(C/C=C(C)\C=C(C)/C(O)C/C=C(C)\C(=O)O1)O2
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FYI-1010318
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 59 60  0  0  0  0  0  0  0  0999 V2000
   21.6455    1.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4411    2.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4411    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2368    4.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0323    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2368    5.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0323    6.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0323    7.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8280    8.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8280   10.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6236   10.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7535   12.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5492   11.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8029    9.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3127    5.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083    4.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083    3.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3127    2.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5170    3.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5170    4.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9315    2.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1879    1.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5504    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9400    1.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2757    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4802    2.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4832    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2263    4.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6668    5.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7787    7.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1683    7.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5557    8.7411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0294    5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3156    1.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8209    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4911    1.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3127    1.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2818   13.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8411   13.1873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6236    7.9346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2368    8.6299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4411    6.5439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6455    4.4578    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  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  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
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 34 29  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
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 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 44  1  0  0  0  0
 46 16  1  0  0  0  0
 47 43  1  0  0  0  0
 48 40  1  0  0  0  0
 49 39  1  0  0  0  0
 50 37  1  0  0  0  0
 51 33  1  0  0  0  0
 52 32  1  0  0  0  0
 53 25  1  0  0  0  0
 54 19  1  0  0  0  0
 55 18  1  0  0  0  0
 56  9  1  0  0  0  0
 57  8  1  0  0  0  0
 58  6  1  0  0  0  0
 59  3  1  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available