Molecule FYI-1000986

A

Molecule Summary:

ID: FYI-1000986
SMILES: c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O

Received at FYIcenter.com on: 2021-09-06

Molecule ID: FYI-1000986 Edit

Molecule Structure SMILES String: c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000986
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
    0.0798    1.6203    0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3783    0.5954    1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4909   -0.3886    1.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8341   -0.3450    1.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2941    0.6915    0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4077    1.6695   -0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5906    0.7250   -0.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4748   -0.2054    0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1305   -1.2481    1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7938   -1.3724    1.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4497   -2.2947    2.2238 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8730   -0.0930   -0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2577    0.9669   -1.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5642    1.0679   -1.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4995    0.1178   -1.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1214   -0.9377   -0.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8184   -1.0429    0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7862    0.2207   -1.4823 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0461   -1.3891    2.2604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    2.5787   -0.2193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1397    2.4690    0.2168 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1683    2.4142    1.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9279    3.6942   -0.2537 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8657    3.7725   -1.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3932    3.5407    0.1653 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4604    3.5121    1.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9452    2.2357   -0.4166 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9238    2.2846   -1.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0791    1.0669    0.0601 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1333    0.9937    1.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7237    1.2874   -0.3354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5881   -0.2336   -0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8432   -1.3555   -0.0221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1696   -2.5778   -0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0485   -2.7060   -1.2897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4396   -3.7902    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9925   -5.0284   -0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8874   -4.9358   -1.4166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4908   -6.2341   -0.2998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2905    2.0466    0.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1508    4.6458   -0.3315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3804    4.8720    0.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4153    0.5684    1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7519    2.4701   -0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723   -1.9758    1.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5313    1.7053   -1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8623    1.8865   -2.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8514   -1.6741    0.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5254   -1.8635    0.8313 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3530    0.7356   -0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2767   -2.1639    1.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6470   -0.3561   -0.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4511   -0.1952   -1.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3778   -3.7005   -0.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5737   -3.8613    1.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8776   -6.9990   -0.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8946    2.7542   -0.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8505    5.5060   -0.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4519    5.0289    0.1223 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  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 21 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 27 40  1  0  0  0  0
 25 41  1  0  0  0  0
 23 42  1  0  0  0  0
  2 43  1  0  0  0  0
  6 44  1  0  0  0  0
  9 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 36 54  1  0  0  0  0
 36 55  1  0  0  0  0
 39 56  1  0  0  0  0
 40 57  1  0  0  0  0
 41 58  1  0  0  0  0
 42 59  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000986-3D
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
    5.4287   -3.7703   -0.9915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1338   -4.2547   -1.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9213   -5.4062   -1.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9808   -6.0225   -2.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2676   -5.4866   -2.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4984   -4.3843   -1.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3504   -6.0083   -3.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1152   -7.0334   -4.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9458   -7.6602   -4.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7895   -7.2338   -3.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7493   -7.8735   -3.5089 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2686   -7.4423   -4.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5121   -6.8424   -6.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5740   -7.2743   -6.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909   -8.3057   -6.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1615   -8.9099   -5.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0990   -8.4785   -4.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4347   -8.7646   -7.2139 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -5.9136   -2.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7311   -2.7576   -0.1139 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6815   -1.7987    0.1256 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0950   -0.7354    1.1823 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8331    0.0842    1.4865 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3322    0.7701    0.2118 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1710   -0.2656   -0.9205 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3372   -1.0885   -1.0831 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8420    0.4401   -2.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6161    1.1694   -2.1414 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7430    2.5060   -2.3559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8228    3.0786   -2.6141 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4576    3.2231   -2.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521    2.7785   -3.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869    1.9138   -3.9127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8139    3.4429   -2.8113 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0918    1.4407    0.4643 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0629    1.0271    2.5367 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6307   -1.2460    2.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2607   -3.7751   -0.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5127   -4.0055   -1.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7847   -8.4798   -4.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8726   -6.0391   -6.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7437   -6.8009   -7.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8027   -9.7201   -4.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9191   -8.9642   -3.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4761   -8.2517   -8.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1807   -5.6771   -1.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7862   -2.3349    0.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8636   -0.0800    0.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0493   -0.5763    1.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0556    1.5407   -0.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3173   -0.9160   -0.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6821    1.1023   -2.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7477   -0.2721   -3.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6357    4.2958   -2.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1462    3.0772   -1.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7613    4.1117   -2.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5475    0.8899    1.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9026    1.4882    2.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9447   -1.2039    3.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 20  1  0  0  0  0
 21 47  1  1  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 22 48  1  6  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 23 49  1  1  0  0  0
 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
 24 50  1  6  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 51  1  1  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 56  1  0  0  0  0
 35 57  1  0  0  0  0
 36 58  1  0  0  0  0
 37 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-02, 2444👍, 0💬