Molecule FYI-1010318

A

Molecule Summary:

ID: FYI-1010318
Names:
InChIKey: KRDDIOSQXDNLBO-CJXMFNIXSA-N
SMILES: 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

Received at FYIcenter.com on: 2024-06-05

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1010318
FYIcenter.com

 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
   15.6236   12.1066    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
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    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
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    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
    0.5465   10.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   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
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 17 16  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
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 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

✍: FYIcenter.com

2024-07-11, 371👍, 0💬