Molecule Editor

Molecule ID: FYI-1015789 Edit

Molecule Structure InChIKey: LNLZWKFJASXZLS-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc7ccc(C(=O)OCC5OC(n4c1ccccc1c3ccnc(C2CCCO2)c34)CC5OC(=O)c6ccc(C)cc6)cc7

Download SDF Download SVG Structure in 2D SDF:

FYI-1015789
FYIcenter.com

 44 50  0  0  0  0  0  0  0  0999 V2000
    5.6314    1.2979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6717    2.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0033    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0436    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3752    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6662    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9976    0.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6258    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3807    3.6040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    4.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    4.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.0332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    8.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   10.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    6.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    5.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8828    5.6086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8196    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6733    3.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8059    2.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0849    2.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2312    4.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0986    5.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9522    6.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5828    6.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1502    8.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7807    8.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113    9.7226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8190    9.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5280    8.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7404    7.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0870    9.1929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4565    8.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8891    7.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  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  2  0  0  0  0
  9  3  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 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 23 17  1  0  0  0  0
 24 16  2  0  0  0  0
 25 13  1  0  0  0  0
 26 25  1  0  0  0  0
 26 12  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33 28  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 27  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  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  1  0  0  0  0
 41 37  1  0  0  0  0
 42 36  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 44 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015789-3D
FYIcenter.com

 78 84  0  0  1  0  0  0  0  0999 V2000
   -5.3203   -2.1191    6.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3064   -1.4947    5.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0086   -2.0870    4.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0232   -1.4842    2.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3290   -0.2849    2.6967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4187    0.3260    1.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3212    0.0697    0.5679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3770    1.1675    1.1154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4012    1.7959   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4568    2.9022   -0.2250 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.0073    4.1240    0.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6844    5.2389   -0.2476 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.5111    5.9682    0.7341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5505    5.3752    1.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1619    4.1098    1.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0978    3.7398    2.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4968    4.6365    3.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9707    5.9265    3.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9842    6.2966    2.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3004    7.5147    2.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4312    8.7663    2.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6172    9.7726    2.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7111    9.6053    1.3789 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5484    8.4055    0.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4610    8.4097   -0.3340 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.7992    9.7745   -0.5674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3306    9.6657   -1.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4621    8.8878   -2.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9667    7.9925   -1.6188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3731    7.3192    1.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4273    4.6892   -1.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9537    3.2495   -1.6200 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.0521    2.3666   -1.9546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3125    2.1528   -3.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6597    2.6052   -4.1950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5905    1.3927   -3.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2078    1.4416   -4.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4998    0.9281   -4.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1947    0.3565   -3.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6343   -0.0377   -3.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5250    0.1826   -2.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2305    0.6983   -2.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6176    0.3062    3.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6105   -0.3005    5.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8883   -3.0553    6.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7911   -1.4367    7.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3002   -2.3421    6.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5545   -3.0181    4.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5856   -1.9468    2.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5944    1.0258   -0.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3994    2.1977   -0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2819    2.5465    0.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8794    5.8946   -0.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9520    3.4021    0.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5197    2.7381    2.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2345    4.3425    4.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3141    6.6433    4.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1496    8.9364    3.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6697   10.7681    2.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6871    7.6955   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9929    9.9842    0.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5170   10.6034   -0.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4005    9.0880   -2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1576   10.6331   -2.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1417    8.3174   -3.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2851    9.5489   -2.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1670    5.2731   -2.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5120    4.7591   -1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1387    3.1755   -2.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7068    1.9236   -5.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9718    1.0250   -5.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0808    0.4450   -4.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2091    0.3043   -3.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7451   -1.1194   -4.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0221   -0.3223   -1.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7516    0.5799   -1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0912    1.2459    3.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0680    0.1754    5.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  1 47  1  0  0  0  0
  2  3  1  0  0  0  0
  2 44  2  0  0  0  0
  3  4  2  0  0  0  0
  3 48  1  0  0  0  0
  4  5  1  0  0  0  0
  4 49  1  0  0  0  0
  5  6  1  0  0  0  0
  5 43  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 54  1  0  0  0  0
 16 17  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  2  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  2  0  0  0  0
 21 22  2  0  0  0  0
 21 58  1  0  0  0  0
 22 23  1  0  0  0  0
 22 59  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  1  0  0  0  0
 25 60  1  0  0  0  0
 26 27  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 27 28  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
 28 29  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 31 32  1  0  0  0  0
 31 67  1  0  0  0  0
 31 68  1  0  0  0  0
 32 33  1  0  0  0  0
 32 69  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
 36 42  2  0  0  0  0
 37 38  2  0  0  0  0
 37 70  1  0  0  0  0
 38 39  1  0  0  0  0
 38 71  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 40 72  1  0  0  0  0
 40 73  1  0  0  0  0
 40 74  1  0  0  0  0
 41 42  1  0  0  0  0
 41 75  1  0  0  0  0
 42 76  1  0  0  0  0
 43 44  1  0  0  0  0
 43 77  1  0  0  0  0
 44 78  1  0  0  0  0
M  END
$$$$