Molecule FYI-1010053

A

Molecule Summary:

ID: FYI-1010053
Names:
InChIKey: QQINRESABYUJSC-RSAYQWSXSA-N
SMILES: COC6[C@H](CO[C@@H]4c3c(cc2c(=O)c1cccc(O)c1c(=O)c2c3O)C(=O)[C@@](C)(O)[C@H]4OC)OC(C)[C@H](OC(=O)CCc5c(C)c(=O)oc5=O)[C@@H]6O

Received at FYIcenter.com on: 2024-05-26

Molecule ID: FYI-1010053 Edit

Molecule Structure InChIKey: QQINRESABYUJSC-RSAYQWSXSA-N

Molecule Structure SMILES String: COC6[C@H](CO[C@@H]4c3c(cc2c(=O)c1cccc(O)c1c(=O)c2c3O)C(=O)[C@@](C)(O)[C@H]4OC)OC(C)[C@H](OC(=O)CCc5c(C)c(=O)oc5=O)[C@@H]6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010053
FYIcenter.com

 52 57  0  0  1  0  0  0  0  0999 V2000
    8.4579    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    4.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    5.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5201    4.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7325    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449    4.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1574    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1574    6.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3698    7.2291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449    7.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7325    6.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5201    7.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5201    8.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7325    9.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449    8.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7325   10.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449   11.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5201   11.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076   10.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    9.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    8.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952   11.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952   12.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076   13.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5201   12.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827   10.7291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    6.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8573    3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5573    5.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449    3.0291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1574    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    2.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5201    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    0.9291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    2.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    4.2680    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
  7  2  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  6  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  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  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
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25 18  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 23  1  0  0  0  0
 31 27  1  0  0  0  0
 32 17  1  0  0  0  0
 33 12  1  0  0  0  0
 12 34  1  1  0  0  0
 11 35  1  1  0  0  0
 36 35  1  0  0  0  0
 37  5  1  0  0  0  0
 38 37  1  0  0  0  0
  4 39  1  1  0  0  0
  3 40  1  1  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 41  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 49 47  1  0  0  0  0
 50 49  1  0  0  0  0
 50 45  1  0  0  0  0
 51 50  2  0  0  0  0
 52 46  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010053-3D
FYIcenter.com

 88 93  0  0  1  0  0  0  0  0999 V2000
    0.5372    0.6141   -5.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166    0.4269   -6.4702 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1684   -0.8213   -7.1748 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0400   -1.9853   -6.6685 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8030   -2.3753   -5.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4562   -2.7631   -4.9612 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1806   -3.0561   -3.5706 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0856   -4.1510   -3.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6699   -5.4923   -2.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640   -6.4917   -2.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035   -6.1704   -2.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8654   -7.2248   -1.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4881   -8.3869   -1.7882 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2769   -6.8680   -1.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1684   -7.8760   -1.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5091   -7.5755   -1.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9678   -6.2646   -1.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0879   -5.2666   -1.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5636   -3.9989   -1.7368 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7316   -5.5553   -1.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635   -4.5171   -2.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0991   -3.3705   -2.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3318   -4.8533   -2.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4014   -3.8477   -2.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7599   -2.5230   -2.5747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7242   -5.8729   -3.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903   -6.9619   -2.9517 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5449   -4.8657   -4.0853 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1529   -4.9977   -5.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9435   -5.1928   -4.0475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3111   -3.4727   -3.4458 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6160   -3.4209   -2.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9588   -3.7114   -1.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4528   -1.7237   -6.7691 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9408   -1.4012   -8.0770 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9954   -2.6582   -8.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1429   -0.2413   -8.6913 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4148    0.9343   -7.8784 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0689    1.9832   -8.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4915    2.0473   -9.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1925    3.0758   -7.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377    4.3258   -7.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9494    5.4276   -6.9748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1187    6.4318   -6.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7876    6.7652   -7.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432    7.2487   -5.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2627    8.2482   -5.1656 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9364    6.6982   -5.3645 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1229    5.5970   -6.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917    4.8619   -6.0947 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6319   -0.5484   -8.6252 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8753    0.5395   -9.1694 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6806    1.6504   -4.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724   -0.0122   -4.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    0.4531   -5.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1060   -1.0950   -7.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8074   -2.8714   -7.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -3.2279   -5.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1230   -1.5610   -4.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3159   -2.1353   -2.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2259   -7.5260   -2.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8168   -8.8989   -1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1986   -8.3606   -0.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0201   -6.0527   -1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5219   -3.9687   -1.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7463   -2.4613   -2.5927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0707   -5.0020   -5.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5994   -4.1968   -6.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5283   -5.9420   -5.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0009   -6.0885   -3.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9443   -2.7294   -3.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1073   -3.3867   -0.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1363   -4.7899   -1.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -3.1821   -2.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9743   -1.0668   -7.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159   -3.1280   -9.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6356   -3.4107   -8.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3984   -2.4379   -9.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4452   -0.0636   -9.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7952    2.6922   -6.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1848    3.3108   -7.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2554    4.6655   -8.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8320    4.0823   -8.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4630    6.0330   -8.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8062    7.7482   -7.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360    6.7821   -6.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4146   -1.4238   -9.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8416    1.1986   -8.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  1 55  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 51  1  0  0  0  0
  3 56  1  0  0  0  0
  4 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 57  1  6  0  0  0
  5  6  1  0  0  0  0
  5 58  1  0  0  0  0
  5 59  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7  6  1  0  0  0  0
  7 60  1  1  0  0  0
  8  9  1  0  0  0  0
  8 24  2  0  0  0  0
  9 10  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 61  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  2  0  0  0  0
 15 62  1  0  0  0  0
 16 17  1  0  0  0  0
 16 63  1  0  0  0  0
 17 18  2  0  0  0  0
 17 64  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 65  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 66  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 31  1  0  0  0  0
 28 30  1  1  0  0  0
 28 29  1  0  0  0  0
 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 30 70  1  0  0  0  0
 31 32  1  0  0  0  0
 31 71  1  6  0  0  0
 32 33  1  0  0  0  0
 33 72  1  0  0  0  0
 33 73  1  0  0  0  0
 33 74  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 75  1  0  0  0  0
 36 76  1  0  0  0  0
 36 77  1  0  0  0  0
 36 78  1  0  0  0  0
 37 51  1  0  0  0  0
 37 38  1  0  0  0  0
 37 79  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 80  1  0  0  0  0
 41 81  1  0  0  0  0
 42 43  1  0  0  0  0
 42 82  1  0  0  0  0
 42 83  1  0  0  0  0
 43 44  2  0  0  0  0
 43 49  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 45 84  1  0  0  0  0
 45 85  1  0  0  0  0
 45 86  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 51 52  1  0  0  0  0
 51 87  1  6  0  0  0
 52 88  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1070👍, 0💬