Molecule FYI-1006911

A

Molecule Summary:

ID: FYI-1006911
Names:
InChIKey: XUDNWQSXPROHLK-UHFFFAOYSA-N
SMILES: O=c3c(OC1OC(CO)C(O)C(O)C1O)c(c2ccccc2)oc4ccccc34

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006911 Edit

Molecule Structure InChIKey: XUDNWQSXPROHLK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c3c(OC1OC(CO)C(O)C(O)C1O)c(c2ccccc2)oc4ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006911
FYIcenter.com

 49 52  0  0  0  0  0  0  0  0999 V2000
    6.0151    8.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2181    6.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6241   10.4184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2181   11.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6241    7.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8121   11.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8121    3.4728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8121    7.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4211    9.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2181   10.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4211    8.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0151    9.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2181    7.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8121   10.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0151    5.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0151    4.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8121    6.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090    5.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090    4.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2181    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4060    6.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4060    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2181    2.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4211    4.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030    5.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030    4.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4211    1.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6241    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6241    2.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6241    9.0293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0151   11.1130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3081    6.6935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8121    9.0293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7684    6.9456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4230   10.4184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1175    9.2154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6241   11.8075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4211   12.5021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8271    8.3347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090   12.5021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4060    7.6402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4060    2.0837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0151    1.3891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4211    5.5565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4211    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8271    4.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8271    1.3891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 37  1  0  0  0  0
  4 10  1  0  0  0  0
  4 38  1  0  0  0  0
  5 11  1  0  0  0  0
  5 39  1  0  0  0  0
  6 14  1  0  0  0  0
  6 40  1  0  0  0  0
  7 16  1  0  0  0  0
  7 19  1  0  0  0  0
  8 17  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 41  1  0  0  0  0
 22 26  1  0  0  0  0
 22 42  1  0  0  0  0
 23 27  1  0  0  0  0
 23 43  1  0  0  0  0
 24 28  2  0  0  0  0
 24 44  1  0  0  0  0
 25 26  2  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 29  2  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006911-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
    1.7395    1.3823    0.9384 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6889   -0.0573   -0.6285 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9416   -0.8386   -0.4816 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7158    1.9224   -1.1686 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2952   -0.8898    1.7616 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4985    4.0900    0.6167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8193   -0.9706    0.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6263    2.3937   -0.6522 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6988   -0.1403   -0.5068 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9363    1.3240   -0.1360 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7127   -0.7972    0.4605 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5946    2.0557    0.0091 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4340    0.0300    0.5812 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7737    3.4822    0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6668    0.0392   -0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4494   -1.0287   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2870    1.3856   -0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7390    1.4425   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4319    0.2556    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9188   -2.4024   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4166    2.6641   -0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8099    0.2829    0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2847   -2.9465   -1.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0504   -3.1589    1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7947    2.6889   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4901    1.5007    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2174   -4.2469   -1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5480   -4.4594    1.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0858   -5.0033   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3190   -0.2048   -1.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183    1.3839    0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4991   -1.8179    0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0819    2.1105   -0.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8543   -0.3729    1.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3971    4.0743   -0.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2208    3.4840    1.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7605   -1.7657   -0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1948    1.9023   -1.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.3691    2.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6355    4.9943    0.9469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8926    3.5993   -0.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3590   -0.6376    0.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781   -2.3764   -2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5390   -2.7488    1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3276    3.6354   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5628    1.5243    0.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7098   -4.6711   -2.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6495   -5.0482    2.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4769   -6.0159    0.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 37  1  0  0  0  0
  4 10  1  0  0  0  0
  4 38  1  0  0  0  0
  5 11  1  0  0  0  0
  5 39  1  0  0  0  0
  6 14  1  0  0  0  0
  6 40  1  0  0  0  0
  7 16  1  0  0  0  0
  7 19  1  0  0  0  0
  8 17  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 41  1  0  0  0  0
 22 26  1  0  0  0  0
 22 42  1  0  0  0  0
 23 27  1  0  0  0  0
 23 43  1  0  0  0  0
 24 28  2  0  0  0  0
 24 44  1  0  0  0  0
 25 26  2  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 29  2  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 2379👍, 0💬