Molecule FYI-1005902

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Molecule Summary:

ID: FYI-1005902
Names: GERANIOL;
InChIKey: GLZPCOQZEFWAFX-JXMROGBWSA-N
SMILES: CC(=CCCC(=CCO)C)C

Received at FYIcenter.com on: 2023-11-20

Molecule ID: FYI-1005902 Edit

Molecule Names: GERANIOL;

Molecule Structure InChIKey: GLZPCOQZEFWAFX-JXMROGBWSA-N

Molecule Structure SMILES String: CC(=CCCC(=CCO)C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005902
FYIcenter.com

 29 28  0     0  0  0  0  0  0999 V2000
    2.5369    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5150   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751   -0.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1551    0.9769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9791   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2191   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005902-3D
FYIcenter.com

 29 28  0     0  0  0  0  0  0999 V2000
    4.2204   -1.7134   -0.1687 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0505    0.6359    0.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9380    0.7573   -0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036    0.6658    0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3721    0.7110   -0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1967   -0.3525   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9487    1.9407   -0.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3869   -0.3304    0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6158   -0.1965    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8258   -1.7551   -0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383   -0.3625    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211    1.4494    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534   -0.2950    1.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -0.0230   -1.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7884    1.7082   -1.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7618    1.6728    0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5131    2.8068    0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6202    1.9571   -1.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0314    2.0908   -0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0179   -1.2125    0.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7895   -0.8207    1.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8543    0.8370    0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3153   -0.5020   -0.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4147   -2.0746   -1.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688   -1.8643   -0.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0285   -2.4424    0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500    0.0386    0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0531    0.1869   -0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1513   -2.1849    0.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 1914👍, 0💬