Molecule FYI-1002401

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Molecule Summary:

ID: FYI-1002401
Names: LIMONENE;
InChIKey: XMGQYMWWDOXHJM-UHFFFAOYSA-N
SMILES: C=C(C)C1CC=C(C)CC1

Received at FYIcenter.com on: 2023-03-14

Molecule ID: FYI-1002401 Edit

Molecule Names: LIMONENE;

Molecule Structure InChIKey: XMGQYMWWDOXHJM-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C1CC=C(C)CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002401
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002401-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
    0.7192   -0.0434   -0.3658 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0421   -1.2082    0.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0383    1.2842   -0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4408   -1.2988   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    0.0377   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4599    1.1970   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1674    0.0060    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6392   -0.0018   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1503   -0.1695   -1.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5629    0.1968    1.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243   -0.2083   -1.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1131   -1.0963    1.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5319   -2.1584    0.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3467    2.0435   -0.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3327    1.6654    0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9359   -1.9678    0.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5405   -1.7572   -1.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9997    2.1405   -0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9790   -0.5416   -0.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0784    1.0009   -0.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310   -0.5107    0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0066   -1.1416   -1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0161    0.6165   -1.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1868   -0.1219   -0.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6171    0.2302    1.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8613    0.3225    2.0973 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
$$$$

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2023-04-13, 2542👍, 0💬