Molecule FYI-1005900

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Molecule Summary:

ID: FYI-1005900
Names: D-LIMONENE;
InChIKey: XMGQYMWWDOXHJM-JTQLQIEISA-N
SMILES: CC1=CCC(CC1)C(=C)C

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

Molecule ID: FYI-1005900 Edit

Molecule Names: D-LIMONENE;

Molecule Structure InChIKey: XMGQYMWWDOXHJM-JTQLQIEISA-N

Molecule Structure SMILES String: CC1=CCC(CC1)C(=C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1005900
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
    2.8660    0.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.3326    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
    2.2460   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  1  0  0  0
  1 11  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  6  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005900-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
    0.7240    0.0471   -0.3365 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0276    1.2093    0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0318   -1.2814    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4515    1.2966   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1489   -0.0396   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4668   -1.1971   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831   -0.0051    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6470   -0.0025   -0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1353    0.1682   -1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -0.1955    1.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6127    0.2109   -1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5182    2.1614    0.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0919    1.0883    1.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3159   -1.6486    1.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3526   -2.0468   -0.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5387    1.7573   -1.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9567    1.9634    0.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0045   -2.1417   -0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9733    0.5372   -1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0538    0.5055    0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0841   -1.0058   -0.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9797   -0.6181   -1.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9803    1.1402   -1.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1809    0.1190   -0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6727   -0.2310    1.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9294   -0.3179    2.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1 11  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  6  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 1166👍, 0💬