Molecule FYI-1002617

A

Molecule Summary:

ID: FYI-1002617
Names:
InChIKey: LLWRARCBKQCISL-SOFGYWHQSA-N
SMILES: CC/C=C/CCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O

Received at FYIcenter.com on: 2023-04-13

Molecule ID: FYI-1002617 Edit

Molecule Structure InChIKey: LLWRARCBKQCISL-SOFGYWHQSA-N

Molecule Structure SMILES String: CC/C=C/CCCC(=O)OC(COC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002617
FYIcenter.com

 43 43  0  0  0  0  0  0  0  0999 V2000
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    8.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7244    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.5865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    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    3.5000    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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  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
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 28  1  0  0  0  0
 32 21  1  0  0  0  0
 33 20  1  0  0  0  0
 34 12  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002617-3D
FYIcenter.com

 89 89  0  0  1  0  0  0  0  0999 V2000
    3.5467    7.6930    7.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0606    7.5730    7.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6393    7.3383    6.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    6.2537    5.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9376    6.0340    4.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3947    4.7519    3.9567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9717    4.5061    2.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4714    4.3452    2.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0066    3.5012    3.3201 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1214    5.2972    1.9020 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5680    5.2717    1.9969 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1544    5.0347    0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852    3.8054    0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3198    2.7018    0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2648    2.6898    1.2832 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7343    1.4761   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8503    0.2978    0.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2725   -0.9826    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4310   -2.1173    1.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8649   -3.4220    0.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0186   -4.5675    1.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4469   -5.8552    1.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0735    6.6217    2.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5834    6.9247    3.8275 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1462    8.4410    4.4415 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.4934    9.1596    3.2578 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0218    8.3514    5.6006 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7090    9.9573    5.0555 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7490   10.4712    4.1623 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8648    9.4007    4.1640 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.8630    9.5739    3.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4895    9.3261    5.5673 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.5284    8.3392    5.5789 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0249   10.7174    5.9984 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.9868   11.2044    5.0394 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2739   10.0491    5.0020 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.5908   10.4078    3.5550 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254   11.0475    5.9578 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5610    8.8938    4.9646 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   11.7496    6.0047 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.4153   13.0329    6.4093 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3331   11.8484    4.5869 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4183   12.9335    4.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1517    7.8577    8.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0905    6.7807    7.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350    8.5345    6.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3334    6.7535    8.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4856    8.4910    8.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4633    8.1029    5.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5483    5.4919    6.7090 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0269    5.9767    4.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7108    6.8872    3.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996    4.8011    3.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6383    3.9020    4.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7120    5.3203    1.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5471    3.5859    2.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9010    4.4741    2.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2572    5.0266    0.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8563    5.8360   -0.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2745    1.2902   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814    1.6603   -0.4483 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3422    0.5453    1.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9073    0.1415    0.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7876   -1.2383   -0.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2111   -0.8409   -0.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9217   -1.8515    2.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939   -2.2500    1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3801   -3.6776   -0.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8038   -3.2853    0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5044   -4.3219    2.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0782   -4.7153    1.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3854   -5.7386    0.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5467   -6.6689    1.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9743   -6.1455    0.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7403    7.3907    1.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1707    6.6319    2.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2187    7.7168    6.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3384   10.5727    3.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4766    8.3981    3.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2446   10.5054    3.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7467    8.9825    6.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6816    8.0260    4.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4999   10.6523    6.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2670   11.9155    5.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7315    8.7370    4.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1650   11.4617    6.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0522   13.3374    5.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1243   12.1248    3.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6124   13.4750    5.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2  3  1  0  0  0  0
  2 47  1  0  0  0  0
  2 48  1  0  0  0  0
  3  4  2  0  0  0  0
  3 49  1  0  0  0  0
  4  5  1  0  0  0  0
  4 50  1  0  0  0  0
  5  6  1  0  0  0  0
  5 51  1  0  0  0  0
  5 52  1  0  0  0  0
  6  7  1  0  0  0  0
  6 53  1  0  0  0  0
  6 54  1  0  0  0  0
  7  8  1  0  0  0  0
  7 55  1  0  0  0  0
  7 56  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 57  1  0  0  0  0
 12 13  1  0  0  0  0
 12 58  1  0  0  0  0
 12 59  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 18  1  0  0  0  0
 17 62  1  0  0  0  0
 17 63  1  0  0  0  0
 18 19  1  0  0  0  0
 18 64  1  0  0  0  0
 18 65  1  0  0  0  0
 19 20  1  0  0  0  0
 19 66  1  0  0  0  0
 19 67  1  0  0  0  0
 20 21  1  0  0  0  0
 20 68  1  0  0  0  0
 20 69  1  0  0  0  0
 21 22  1  0  0  0  0
 21 70  1  0  0  0  0
 21 71  1  0  0  0  0
 22 72  1  0  0  0  0
 22 73  1  0  0  0  0
 22 74  1  0  0  0  0
 23 24  1  0  0  0  0
 23 75  1  0  0  0  0
 23 76  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 77  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 42  1  0  0  0  0
 29 78  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 79  1  0  0  0  0
 31 80  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 81  1  0  0  0  0
 33 82  1  0  0  0  0
 34 35  1  0  0  0  0
 34 40  1  0  0  0  0
 34 83  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 38 84  1  0  0  0  0
 39 85  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 86  1  0  0  0  0
 41 87  1  0  0  0  0
 42 43  1  0  0  0  0
 42 88  1  0  0  0  0
 43 89  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-17, 299👍, 0💬