Molecule FYI-1005917

A

Molecule Summary:

ID: FYI-1005917
Names:
InChIKey: BEAQEKRAXFQCBO-UHFFFAOYSA-N
SMILES: O=C1C=C2C(=O)OC7C(O)C(OC(=O)c3cc(O)c(O)c4OC1(O)C(O)(O)C2c34)C8COC(=O)c5cc(O)c(O)c(O)c5c6c(O)c(O)c(O)cc6C(=O)C7O8

Received at FYIcenter.com on: 2023-11-21

Molecule ID: FYI-1005917 Edit

Molecule Structure InChIKey: BEAQEKRAXFQCBO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1C=C2C(=O)OC7C(O)C(OC(=O)c3cc(O)c(O)c4OC1(O)C(O)(O)C2c34)C8COC(=O)c5cc(O)c(O)c(O)c5c6c(O)c(O)c(O)cc6C(=O)C7O8

Download SDF Download SVG Structure in 2D SDF:

FYI-1005917
FYIcenter.com

 56 63  0  0  0  0  0  0  0  0999 V2000
    9.6161   10.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9263    8.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7457    7.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7457    6.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9263    5.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1068    6.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1068    7.8801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8166    6.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9999    4.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0821    6.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6484    5.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0054    5.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7960    6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2297    7.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8727    7.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9376    9.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3007    9.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9823   10.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3007   11.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9376   11.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2560   10.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0445   11.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3024   12.4485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6875   10.9804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9823   12.8464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3454   10.4853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0836    8.0523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1362    8.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1530    6.4442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5716    4.2234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2365    4.2594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1650    3.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8041    2.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8645    3.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5214    1.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2073    1.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8642    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    2.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5796    3.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8935    3.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6273    5.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2849    4.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9127    3.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141    5.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6572    7.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9712    7.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9422    6.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7704    7.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9644    8.6635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0359    8.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862    8.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1920    4.7948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029    3.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796    1.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5653    5.8354    0.0000 O   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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  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
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 24  1  1  0  0  0  0
 25 19  1  0  0  0  0
 26 18  1  0  0  0  0
 27 17  1  0  0  0  0
 28 14  1  0  0  0  0
 29 13  1  0  0  0  0
 30 12  1  0  0  0  0
 31  5  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 40 34  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 43 38  1  0  0  0  0
 44 42  1  0  0  0  0
 45 44  2  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  0  0  0  0
 47 41  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
 50 48  1  0  0  0  0
 50  3  1  0  0  0  0
 51 45  1  0  0  0  0
 52 44  1  0  0  0  0
 53 39  1  0  0  0  0
 54 39  1  0  0  0  0
 55 38  1  0  0  0  0
 56  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005917-3D
FYIcenter.com

 80 87  0  0  1  0  0  0  0  0999 V2000
    6.0539    1.0937    0.6508 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3410    1.9174    1.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9340    2.7922    2.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0960    3.3969    3.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4349    4.9735    3.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1475    5.4613    2.3713 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724    5.8840    4.0970 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4057    6.8238    5.2504 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4650    5.7226    6.3353 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1839    6.1066    7.4974 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9321    5.4687    6.5017 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5039    4.1501    6.5947 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6104    3.6597    5.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202    2.5710    5.8969 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3461    4.2621    4.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0516    5.5547    3.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240    5.8817    2.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7889    7.1876    2.0727 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8205    4.9090    1.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5568    5.1949    0.2092 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3675    3.7082    1.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8289    2.9626    0.8381 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7442    1.9376    1.0315 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6299    1.3525   -0.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4467    1.2516    2.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1023    0.7899    2.5772 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2029    0.0830    2.6877 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8044    2.4846    3.4047 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6728    3.4241    3.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1174    6.4641    7.3142 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7745    6.7517    6.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5660    7.2380    7.1368 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828    7.1789    8.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5614    6.6197    9.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862    7.9370    9.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6520    7.3284   10.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5196    7.9439   11.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146    7.4203   12.5359 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0608    9.1704   10.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8235    9.8818   11.8461 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7941    9.7685    9.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2801   11.0255    9.4671 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9832    9.1336    8.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6663    9.7840    7.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945   10.1875    7.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7129    9.9823    8.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1596   10.7740    6.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4947   11.0208    5.8703 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240   11.0971    5.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2838   11.7142    3.9338 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630   10.7436    5.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5630    9.9947    6.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159    9.5033    5.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7519   10.3291    5.3684 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929    8.0730    6.2210 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9268    7.6025    7.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9867    2.9986    2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3625    7.2061    4.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9646    4.8315    5.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5855    6.5205    8.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5470    5.7626    5.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1430    6.4409    4.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    7.5338    2.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3499    6.1447    0.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5352    0.4090   -0.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5018    1.2696    1.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897   -0.6372    2.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9192    2.0354    4.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343    6.0381    8.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4120    5.8338    6.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9785    7.5015    5.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1944    6.3803   10.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    6.5639   12.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8352    9.2888   12.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7105   11.2915   10.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3593    9.8180    9.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9377   10.6166    6.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825   11.8171    4.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196   11.0333    4.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5286    8.4448    6.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3 57  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 55  1  0  0  0  0
  8 58  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 59  1  0  0  0  0
 10 60  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 61  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  2  0  0  0  0
 16 17  2  0  0  0  0
 16 62  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 63  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 64  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 65  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 29  1  0  0  0  0
 28 68  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 30 69  1  0  0  0  0
 31 32  1  0  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 43  2  0  0  0  0
 36 37  2  0  0  0  0
 36 72  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 73  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 40 74  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 75  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 52  2  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 46 76  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 77  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  2  0  0  0  0
 50 78  1  0  0  0  0
 51 52  1  0  0  0  0
 51 79  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
 55 80  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 407👍, 0💬