Molecule FYI-1003704

A

Molecule Summary:

ID: FYI-1003704
Names:
InChIKey: AOXXVRDKZLRGTJ-AWQFTUOYSA-N
SMILES: C/C(=C\\CCC(C)C3CCC4(C)C2=CCC1C(C)(C)C(O)CCC1(C)C2=CCC34C)CO

Received at FYIcenter.com on: 2023-07-20

Molecule ID: FYI-1003704 Edit

Molecule Structure InChIKey: AOXXVRDKZLRGTJ-AWQFTUOYSA-N

Molecule Structure SMILES String: C/C(=C\CCC(C)C3CCC4(C)C2=CCC1C(C)(C)C(O)CCC1(C)C2=CCC34C)CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1003704
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.4871    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1420    6.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    5.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    5.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    6.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7767    7.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7135    6.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2809    4.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9114    4.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4788    3.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4156    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7850    2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2176    3.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5870    4.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5238    2.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0912    1.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7217    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6814    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0128    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0279    0.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6502    5.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6983    8.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4052    4.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 25  1  0  0  0  0
 30 22  1  0  0  0  0
 31 14  1  0  0  0  0
 32 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003704-3D
FYIcenter.com

 80 83  0  0  1  0  0  0  0  0999 V2000
    1.8135   -5.3385   -0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5519   -4.5602    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4618   -3.5303    0.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6024   -2.8698    1.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0265   -3.6225    2.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2083   -3.0050    3.6195 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9089   -1.5465    4.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435   -3.8019    4.8396 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5661   -5.0913    4.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627   -6.3149    4.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940   -5.8036    5.5984 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1958   -6.0465    4.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8171   -6.5705    6.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207   -8.0454    7.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0172   -8.7729    8.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6915   -7.2731   10.1031 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8876   -6.6266   11.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5933   -5.2158   10.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376   -6.4331   12.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7893   -7.6293   10.4710 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1650   -7.5367   10.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452   -7.2322    8.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4584   -6.9230    8.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3771   -5.8215    9.2850 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0151   -5.2828    9.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1113   -5.3570    7.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121   -4.0772    7.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5539   -3.4559    6.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8035   -4.2660    5.9762 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7442   -4.0331    7.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6456   -5.0077   -0.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3884   -4.7682   -2.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6498   -5.0313    0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1309   -5.2199   -1.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6407   -6.4026   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5092   -3.0615    1.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2671   -1.8596    1.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4598   -2.7541    0.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3385   -4.6210    2.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1516   -3.6964    3.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0394   -2.9531    2.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0460   -1.4635    4.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973   -0.9219    3.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7686   -1.0926    4.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908   -3.0967    5.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3591   -5.1283    5.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959   -5.1169    3.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   -7.0860    5.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4342   -6.7462    3.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8565   -7.0958    4.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392   -5.9338    3.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3202   -5.4393    4.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9420   -8.8228    6.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7247   -9.5324    9.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0785   -9.2832    8.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1259   -7.6598   10.7487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115   -4.3650   10.7778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1483   -5.1174    9.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3956   -5.0540   11.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7799   -5.5423   12.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2793   -6.1998   13.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8633   -7.2586   12.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4784   -8.6405   10.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5582   -8.3650   10.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0115   -8.0688    8.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0876   -6.4127    8.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4928   -7.5581    8.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0624   -6.8617    7.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6133   -5.9510   10.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5760   -5.1073    8.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9348   -4.3360   10.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3514   -3.4062    8.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8264   -2.4312    6.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8234   -3.3874    5.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1887   -3.0245    7.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5539   -4.7556    7.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2162   -3.9868    8.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5543   -4.4591   -0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8404   -6.0744   -0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581   -3.8548   -2.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  2  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  1  0  0  0  0
 15 54  1  0  0  0  0
 15 55  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 16 56  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 18 59  1  0  0  0  0
 19 60  1  0  0  0  0
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 63  1  0  0  0  0
 21 64  1  0  0  0  0
 22 23  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 24  1  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 72  1  0  0  0  0
 28 29  1  0  0  0  0
 28 73  1  0  0  0  0
 28 74  1  0  0  0  0
 29 30  1  0  0  0  0
 30 75  1  0  0  0  0
 30 76  1  0  0  0  0
 30 77  1  0  0  0  0
 31 32  1  0  0  0  0
 31 78  1  0  0  0  0
 31 79  1  0  0  0  0
 32 80  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 2443👍, 0💬