Molecule FYI-1007007

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Molecule Summary:

ID: FYI-1007007
Names:
InChIKey: KDPFMRXIVDLQKX-WDZFZDKYSA-N
SMILES: C/C1=C/CCC(C)C(=O)CC(C(C)C)C(=O)C1

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1007007 Edit

Molecule Structure InChIKey: KDPFMRXIVDLQKX-WDZFZDKYSA-N

Molecule Structure SMILES String: C/C1=C/CCC(C)C(=O)CC(C(C)C)C(=O)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007007
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    7.5590    1.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3308    2.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0941    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0163    1.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    1.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4181    2.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7091    0.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4181    3.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900    4.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6463    4.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8745    3.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6463    2.8364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7968    2.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1182    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6388    1.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1027    4.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1027    5.6727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3308    3.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1027    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007007-3D
FYIcenter.com

 41 41  0     1  0  0  0  0  0999 V2000
   -0.3457    2.6191   -1.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583   -1.3215    1.6092 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5004    0.2337   -0.1159 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0060    0.1177    0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    1.4666    0.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6707    1.4467    0.5701 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3639    1.9109   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8368   -1.0370    0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7048    1.0400   -0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1717   -1.9505   -0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3009   -0.1908   -1.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5626   -1.1144   -0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7198    1.3806   -0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2476   -2.2351   -0.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2044    2.5824    1.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3028   -1.4598   -0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4443   -3.4886    0.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    0.3130   -1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -0.0006    1.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5767    2.3449    0.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    1.2871    1.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4631    0.5883    1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8720    1.8756   -1.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6698    0.8454   -0.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7589   -2.8737   -0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101   -1.5078   -1.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3413   -0.0119   -1.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0303   -0.3177   -2.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6530   -1.1578   -0.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1729   -2.0446   -0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3275   -1.0993   -1.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713    1.6946   -1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    1.2081   -0.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5994    2.2141    0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4668    2.8753    2.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4317    3.4711    0.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1185    2.2787    1.9607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2878   -1.7647   -0.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4928   -3.6476    0.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657   -3.4417    1.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1157   -4.3636    0.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 22  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
M  END
$$$$

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2024-01-31, 1353👍, 0💬