Molecule FYI-1005486

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A

Molecule Summary:

ID: FYI-1005486
Names:
InChIKey: DCHMKPAXAJSQEC-PCLAPDHRSA-N
SMILES: O[C@H]4CCC2C(=CCC3C1CCCCC1CC23)C4

Received at FYIcenter.com on: 2023-10-31

Molecule ID: FYI-1005486 Edit

Molecule Structure InChIKey: DCHMKPAXAJSQEC-PCLAPDHRSA-N

Molecule Structure SMILES String: O[C@H]4CCC2C(=CCC3C1CCCCC1CC23)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005486
FYIcenter.com

 18 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    3.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5331    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1408    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4949    2.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    4.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7484    5.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3560    5.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 13  1  0  0  0  0
  9 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 11 14  1  0  0  0  0
  2 18  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005486-3D
FYIcenter.com

 44 47  0  0  1  0  0  0  0  0999 V2000
    3.8166    2.2308   -0.1636 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.1722    0.7017 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0050    0.3359    1.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313   -0.2889   -0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4911   -1.0618   -1.0476 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8718   -1.0263   -0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7168   -1.9402   -0.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1267   -1.6023   -2.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831   -1.3499   -3.2710 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2208   -0.3411   -4.3852 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6963   -0.9218   -5.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8464    0.1957   -6.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5849    1.0641   -6.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1444    1.6313   -5.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9339    0.4642   -4.5486 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5582    0.7136   -3.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029   -0.7404   -2.5607 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3486    0.3280    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6092    2.6906   -0.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6302    1.6399    1.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    0.9623    1.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2653   -0.4468    1.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    0.4773   -0.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6294   -0.9825    0.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1609   -2.1131   -1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3452   -2.9713   -1.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7111   -2.4292   -2.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -0.7401   -2.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5777   -2.3121   -3.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064    0.3457   -4.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9794   -1.6602   -6.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6553   -1.4354   -5.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855   -0.2415   -7.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6930    0.8366   -6.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7734    0.4494   -7.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7567    1.8789   -7.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2143    2.1975   -5.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9053    2.3234   -5.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1540   -0.1717   -4.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731    1.1757   -2.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000    1.3528   -2.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265   -1.2299   -3.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8101    0.8825   -0.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1300    0.1516    0.7859 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2  1  1  0  0  0  0
  2 20  1  1  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  3  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
M  END
$$$$

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2023-11-06, 2321👍, 0💬