Molecule FYI-1003539

A

Molecule Summary:

ID: FYI-1003539
Names:
InChIKey: AEVODBWMGQYTNO-UOXHRDLNSA-N
SMILES: C[C@@H]6O[C@@H](O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]3CC[C@]2(C)C5=C(CC[C@H]2C3(C)C)CO[C@H](C4=CCOC4=O)C5)[C@H](O)[C@H](O)[C@H]6O

Received at FYIcenter.com on: 2023-06-28

Molecule ID: FYI-1003539 Edit

Molecule Structure InChIKey: AEVODBWMGQYTNO-UOXHRDLNSA-N

Molecule Structure SMILES String: C[C@@H]6O[C@@H](O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]3CC[C@]2(C)C5=C(CC[C@H]2C3(C)C)CO[C@H](C4=CCOC4=O)C5)[C@H](O)[C@H](O)[C@H]6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003539
FYIcenter.com

 45 50  0  0  1  0  0  0  0  0999 V2000
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4033    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2303    5.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
 11 10  2  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
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16  2  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 18  6  1  0  0  0  0
 16 19  1  0  0  0  0
 20  3  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
 23 24  1  1  0  0  0
 25 24  1  6  0  0  0
 26 25  1  0  0  0  0
 26 27  1  1  0  0  0
 28 27  1  6  0  0  0
 29 28  1  0  0  0  0
 29 30  1  1  0  0  0
 31 29  1  0  0  0  0
 31 32  1  1  0  0  0
 33 31  1  0  0  0  0
 33 34  1  6  0  0  0
 35 33  1  0  0  0  0
 35 36  1  1  0  0  0
 37 35  1  0  0  0  0
 37 28  1  0  0  0  0
 38 26  1  0  0  0  0
 38 39  1  6  0  0  0
 40 38  1  0  0  0  0
 40 41  1  1  0  0  0
 42 40  1  0  0  0  0
 42 43  1  6  0  0  0
 44 43  1  0  0  0  0
 45 42  1  0  0  0  0
 45 25  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003539-3D
FYIcenter.com

 93 98  0     1  0  0  0  0  0999 V2000
    1.7331    0.3542   -0.3362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6051   -1.3624    0.7386 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6961    2.6558    0.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5013    0.3238    0.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7774    2.9147   -0.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4586    1.1036   -1.1825 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3094    5.0693    0.9159 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960   -0.9016   -1.7212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1116    0.3867    0.9747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0930    4.7126    0.9140 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7399   -0.8868   -0.8657 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3544   -2.8154    1.1029 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0802   -4.1531    0.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4486   -1.3206    0.9720 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3943   -0.9898   -0.2461 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1019   -1.1651    0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3761    0.2236    0.0861 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9867    0.3993   -0.7977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709   -2.6516    1.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8635   -1.0122    0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5024    0.5130   -1.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3048   -2.5733    2.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3423   -2.0211   -1.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2520   -1.7547    1.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343   -2.3045   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8272   -1.1870    2.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9067   -0.2238   -0.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6977   -1.8315    1.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2216   -0.0815    0.2472 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3817    1.4383    0.3280 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8230    1.5048   -0.1769 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3254    0.4320   -0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5484    2.7334    0.3725 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2824    3.7805    0.7026 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7089    3.9982    0.1925 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3061    0.8029   -1.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7050    0.6210   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069   -0.0604   -0.6814 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3935    4.9892    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6361    1.2494   -2.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550   -0.7497    0.0536 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2278   -2.1266    0.5651 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5088   -2.1676   -1.2653 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6160   -2.9627   -0.5596 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9664   -2.9032   -2.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6773   -0.5476    1.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276    0.9822    0.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2433    1.1779   -0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5470    0.6329   -1.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2246   -2.9218    2.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7938   -3.4759    0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2346   -0.1423   -1.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2956    1.5272   -1.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2849   -2.1355    3.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6885   -3.5950    2.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3476   -2.1271   -1.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0002   -1.7232   -2.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6691   -3.0171   -1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8037   -2.3827    0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6274   -2.1583   -1.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -3.2801    0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8976   -0.9790    2.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7527   -2.1637    2.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.4360    2.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5450    0.7824   -0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651   -0.7593   -1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9739   -2.8714    1.9406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8505   -1.2594    2.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0937    0.6087    1.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693    1.2444    1.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7956    1.5412   -1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8180    2.5856    1.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2747    3.5936    1.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6957    4.2854   -0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4435    0.7959   -2.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9240    0.8016   -1.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3134    5.1771   -0.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7713    5.8876    0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6348    2.2974   -2.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0314    0.6218   -3.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5678    3.0895   -1.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0109   -0.1429    0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3140    4.8298    1.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5025   -2.0177    1.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6802   -1.9908   -0.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3971   -3.2623   -1.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4567    5.4919    0.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7568   -3.0668   -3.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1928   -2.3033   -2.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   -3.8701   -2.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0284    0.0074   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7271   -2.2596    1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612   -3.8997    0.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 30  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 34  1  0  0  0  0
  4 31  1  0  0  0  0
  4 38  1  0  0  0  0
  5 33  1  0  0  0  0
  5 81  1  0  0  0  0
  6 37  1  0  0  0  0
  6 40  1  0  0  0  0
  7 35  1  0  0  0  0
  7 83  1  0  0  0  0
  8 38  1  0  0  0  0
  8 43  1  0  0  0  0
  9 37  2  0  0  0  0
 10 39  1  0  0  0  0
 10 87  1  0  0  0  0
 11 41  1  0  0  0  0
 11 91  1  0  0  0  0
 12 42  1  0  0  0  0
 12 92  1  0  0  0  0
 13 44  1  0  0  0  0
 13 93  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 14 46  1  0  0  0  0
 15 18  1  0  0  0  0
 15 20  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 21  1  0  0  0  0
 17 47  1  0  0  0  0
 18 21  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 22  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 24  2  0  0  0  0
 20 27  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 24  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 28  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
 26 62  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 27 29  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 28 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 32  1  0  0  0  0
 29 69  1  0  0  0  0
 30 31  1  0  0  0  0
 30 70  1  0  0  0  0
 31 33  1  0  0  0  0
 31 71  1  0  0  0  0
 32 36  2  0  0  0  0
 32 37  1  0  0  0  0
 33 35  1  0  0  0  0
 33 72  1  0  0  0  0
 34 35  1  0  0  0  0
 34 39  1  0  0  0  0
 34 73  1  0  0  0  0
 35 74  1  0  0  0  0
 36 40  1  0  0  0  0
 36 75  1  0  0  0  0
 38 41  1  0  0  0  0
 38 76  1  0  0  0  0
 39 77  1  0  0  0  0
 39 78  1  0  0  0  0
 40 79  1  0  0  0  0
 40 80  1  0  0  0  0
 41 42  1  0  0  0  0
 41 82  1  0  0  0  0
 42 44  1  0  0  0  0
 42 84  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 43 85  1  0  0  0  0
 44 86  1  0  0  0  0
 45 88  1  0  0  0  0
 45 89  1  0  0  0  0
 45 90  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-08, 2496👍, 0💬