Molecule FYI-1007282

A

Molecule Summary:

ID: FYI-1007282
Names:
InChIKey: IPQVTOJGNYVQEO-AIFLABODSA-N
SMILES: O=C(O)c8cc(O)c7C(=O)c2c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)cccc2[C@H]([C@@H]6c4cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4C(=O)c5c(O)cc(C(=O)O)cc56)c7c8

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007282 Edit

Molecule Structure InChIKey: IPQVTOJGNYVQEO-AIFLABODSA-N

Molecule Structure SMILES String: O=C(O)c8cc(O)c7C(=O)c2c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)cccc2[C@H]([C@@H]6c4cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4C(=O)c5c(O)cc(C(=O)O)cc56)c7c8

Download SDF Download SVG Structure in 2D SDF:

FYI-1007282
FYIcenter.com

 62 69  0  0  1  0  0  0  0  0999 V2000
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    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
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    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
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.9000    0.0000 O   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
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  6  0  0  0
  9  8  1  0  0  0  0
 10  9  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
 13  8  1  0  0  0  0
 12 14  1  6  0  0  0
 15 14  1  0  0  0  0
 11 16  1  1  0  0  0
 10 17  1  6  0  0  0
  9 18  1  1  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  6  0  0  0
 23  3  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  1  0  0  0
 26 25  2  0  0  0  0
 27 26  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 25  1  0  0  0  0
 31 27  1  0  0  0  0
 32 31  1  6  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 37 32  1  0  0  0  0
 36 38  1  6  0  0  0
 39 38  1  0  0  0  0
 35 40  1  1  0  0  0
 34 41  1  6  0  0  0
 33 42  1  1  0  0  0
 43 26  1  0  0  0  0
 44 43  2  0  0  0  0
 45 43  1  0  0  0  0
 46 45  2  0  0  0  0
 46 24  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 50 45  1  0  0  0  0
 51 50  1  0  0  0  0
 52 48  1  0  0  0  0
 53 52  2  0  0  0  0
 54 52  1  0  0  0  0
 55 22  1  0  0  0  0
 56 55  2  0  0  0  0
 57 56  1  0  0  0  0
 58 57  2  0  0  0  0
 58 21  1  0  0  0  0
 59 58  1  0  0  0  0
 60 56  1  0  0  0  0
 61 60  2  0  0  0  0
 62 60  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007282-3D
FYIcenter.com

100107  0  0  1  0  0  0  0  0999 V2000
    7.9586    9.3237  -12.3161 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6147    9.0857  -11.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4440    9.7628  -10.1597 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6837    8.0398  -11.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6553    7.0719  -12.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6795    6.1271  -12.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5467    5.1024  -13.2769 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8037    6.2058  -11.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0141    5.3880  -11.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3189    5.0995  -12.9357 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9282    5.0925  -10.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9354    4.1134  -10.7042 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2061    3.2560  -11.7344 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1404    2.4511  -12.2749 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1878    2.1009  -11.2795 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1392    1.2358  -11.7288 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2709    0.9888  -10.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0906    0.5623   -9.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6983   -0.0883  -12.2830 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6807   -0.8786  -12.9099 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7798    0.1778  -13.3414 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.4501   -1.0417  -13.7114 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8186    1.1949  -12.8692 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7045    1.5544  -13.9493 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9154    4.0733   -9.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8772    4.9429   -8.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8598    5.8840   -8.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9110    6.0001   -9.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0901    7.2872   -9.6331 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0534    8.5359   -9.9762 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8112    8.3865  -11.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9195    7.5218  -11.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4209    7.0638  -12.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9127    7.5736  -13.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9717    8.6153  -13.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5866    9.2330  -14.8725 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5723    9.2841  -15.9220 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7487    9.9800  -15.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7779   10.0374  -16.4798 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.0149   10.6919  -15.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4843    9.8785  -14.7748 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2895   10.8188  -17.6996 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3215   10.8962  -18.6846 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0271   10.1413  -18.2546 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5264   10.8786  -19.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9523    9.9679  -17.1635 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8543    9.2061  -17.6940 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3889    9.0051  -12.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3611   10.0844  -12.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9138   10.6780  -13.3446 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8564   10.5041  -11.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8612   11.4856  -10.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3496   12.1637  -11.9757 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2484   11.7623   -9.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6752   11.0979   -8.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9128   11.0852   -7.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9761   10.1190   -6.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0799   12.1156   -7.0329 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7374   10.1829   -8.6167 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2685    9.8256   -9.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8479    7.1551  -10.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7413    8.0222  -10.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8274    9.3621   -9.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8330    7.0713  -13.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7560    5.2493  -13.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6694    2.9782  -13.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5243    1.7376  -12.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7788    1.9138  -10.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5028    0.2293  -10.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7530    1.2737   -9.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1348   -0.6865  -11.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8610   -0.8473  -12.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3049    0.5288  -14.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5336   -1.6007  -12.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4630    0.7303  -12.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2135    1.4450  -14.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7473    3.3763   -9.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6808    4.9323   -7.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8901    6.6096   -7.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6942    7.4285   -8.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8243    8.6019   -9.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3481    7.1096  -10.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1721    6.2774  -12.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2832    7.1316  -14.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8309    8.2626  -16.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0498    9.0096  -16.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8314   10.7911  -16.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7799   11.6812  -15.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6942    9.6500  -14.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0425   11.8495  -17.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2803   10.1065  -19.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2913    9.1586  -18.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1697   11.7247  -19.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5386   10.9442  -16.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1723    8.3246  -17.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7818   11.8130  -12.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3865   12.4222   -9.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1455   12.8643   -7.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0333    9.6269   -7.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7461    8.7372   -9.5574 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  4  1  0  0  0  0
  3 63  1  0  0  0  0
  4  5  1  0  0  0  0
  4 62  2  0  0  0  0
  5  6  2  0  0  0  0
  5 64  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 65  1  0  0  0  0
  8  9  1  0  0  0  0
  8 61  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  2  0  0  0  0
 12 13  1  0  0  0  0
 12 25  2  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 14 13  1  0  0  0  0
 14 66  1  6  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 67  1  6  0  0  0
 17 18  1  0  0  0  0
 17 68  1  0  0  0  0
 17 69  1  0  0  0  0
 18 70  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 71  1  1  0  0  0
 20 72  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 73  1  6  0  0  0
 22 74  1  0  0  0  0
 23 24  1  0  0  0  0
 23 75  1  1  0  0  0
 24 76  1  0  0  0  0
 25 26  1  0  0  0  0
 25 77  1  0  0  0  0
 26 27  2  0  0  0  0
 26 78  1  0  0  0  0
 27 28  1  0  0  0  0
 27 79  1  0  0  0  0
 28 29  1  0  0  0  0
 29 61  1  0  0  0  0
 29 80  1  1  0  0  0
 30 31  1  0  0  0  0
 30 60  1  0  0  0  0
 30 29  1  0  0  0  0
 30 81  1  1  0  0  0
 31 32  1  0  0  0  0
 31 48  2  0  0  0  0
 32 33  2  0  0  0  0
 32 82  1  0  0  0  0
 33 34  1  0  0  0  0
 33 83  1  0  0  0  0
 34 35  2  0  0  0  0
 34 84  1  0  0  0  0
 35 36  1  0  0  0  0
 35 48  1  0  0  0  0
 37 38  1  0  0  0  0
 37 46  1  0  0  0  0
 37 36  1  0  0  0  0
 37 85  1  6  0  0  0
 38 39  1  0  0  0  0
 39 42  1  0  0  0  0
 39 40  1  0  0  0  0
 39 86  1  6  0  0  0
 40 41  1  0  0  0  0
 40 87  1  0  0  0  0
 40 88  1  0  0  0  0
 41 89  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 90  1  1  0  0  0
 43 91  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 44 92  1  6  0  0  0
 45 93  1  0  0  0  0
 46 47  1  0  0  0  0
 46 94  1  1  0  0  0
 47 95  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 60  2  0  0  0  0
 52 53  1  0  0  0  0
 52 54  2  0  0  0  0
 53 96  1  0  0  0  0
 54 55  1  0  0  0  0
 54 97  1  0  0  0  0
 55 56  1  0  0  0  0
 55 59  2  0  0  0  0
 56 57  2  0  0  0  0
 56 58  1  0  0  0  0
 58 98  1  0  0  0  0
 59 60  1  0  0  0  0
 59 99  1  0  0  0  0
 61 62  1  0  0  0  0
 62100  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 173👍, 0💬