Molecule FYI-1003525

A

Molecule Summary:

ID: FYI-1003525
Names:
InChIKey: PLKWDGDBKUZTFA-XDNQAXCOSA-N
SMILES: C[C@@H]3O[C@@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]2O)[C@@H]3O

Received at FYIcenter.com on: 2023-06-27

Molecule ID: FYI-1003525 Edit

Molecule Structure InChIKey: PLKWDGDBKUZTFA-XDNQAXCOSA-N

Molecule Structure SMILES String: C[C@@H]3O[C@@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]2O)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003525
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   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
    7.2747    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  3  2  1  6  0  0  0
  4  3  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  6  7  1  1  0  0  0
  8  7  1  6  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
 11  9  1  0  0  0  0
 11 12  1  1  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  6  0  0  0
 16 14  1  0  0  0  0
 16  8  1  0  0  0  0
 16 17  1  6  0  0  0
 18  6  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  6  0  0  0
 21 19  1  0  0  0  0
 21  3  1  0  0  0  0
 21 22  1  6  0  0  0
 23  1  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  6  0  0  0
 26 24  1  0  0  0  0
 26 27  1  6  0  0  0
 28 26  1  0  0  0  0
 28 29  1  6  0  0  0
 30 28  1  0  0  0  0
 30  1  1  0  0  0  0
 30 31  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003525-3D
FYIcenter.com

 63 65  0  0  1  0  0  0  0  0999 V2000
   -4.8127   -3.8368   -2.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0539   -4.6232   -3.0719 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1781   -4.7028   -4.5056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5024   -3.4503   -5.0993 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5297   -3.5704   -6.5153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8717   -2.9470   -4.5839 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.8852   -3.8969   -4.9746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8415   -2.7749   -3.0561 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9234   -1.7393   -2.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3500   -0.3754   -2.8400 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.4283   -0.0249   -4.2230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1648   -0.0376   -4.8899 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3671    0.1256   -6.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2126    0.9888   -4.3029 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6897    2.3222   -4.4913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9997    0.6562   -2.8107 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1809    1.6336   -2.1556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8018    1.6579   -2.5656 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6693    2.0331   -3.9315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3158    2.1971   -4.3619 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3353    2.4108   -5.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7464    3.3997   -3.6086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5772    4.5604   -3.8236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7387    3.0779   -2.1070 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2761    4.2308   -1.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1358    2.6754   -1.6197 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0720    2.1049   -0.3020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3743    0.5834   -2.0947 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2156    0.1708   -0.7281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3900   -4.1403   -2.4631 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3364   -4.1097   -1.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9155   -4.2083   -3.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6659   -3.9200   -1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8600   -2.7726   -2.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8842   -5.6522   -2.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6791   -2.7849   -4.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4642   -3.5646   -6.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1559   -2.0244   -5.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4460   -4.7691   -5.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8378   -2.5492   -2.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3473   -0.2661   -2.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6883   -0.9904   -4.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7935    1.1006   -6.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0624   -0.6338   -6.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4177    0.0074   -6.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2809    0.9025   -4.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6481    2.3069   -4.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5050   -0.3180   -2.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3788    0.6560   -2.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7453    1.2850   -4.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9825    3.2474   -6.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7415    1.5248   -6.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3290    2.5949   -6.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612    3.6554   -3.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4757    4.2373   -4.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0273    2.2700   -1.8986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8205    4.9780   -1.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7631    3.5721   -1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9904    1.8484   -0.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8041    1.5923   -2.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0905   -0.7938   -0.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1476   -4.8858   -2.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9413   -3.2613   -0.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 35  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 36  1  1  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 38  1  6  0  0  0
  7 39  1  0  0  0  0
  8 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 41  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 42  1  1  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 46  1  6  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 16 48  1  1  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 18 17  1  0  0  0  0
 18 49  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 50  1  1  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 54  1  6  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 56  1  1  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 26 58  1  1  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 28 60  1  6  0  0  0
 29 61  1  0  0  0  0
 30 31  1  0  0  0  0
 30 62  1  6  0  0  0
 31 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-05, 1995👍, 0💬