Molecule FYI-1012162

A

Molecule Summary:

ID: FYI-1012162
Names:
InChIKey: VNLOLXSJMINBIS-DIIYSANSSA-N
SMILES: C[C@H]6O[C@H](OC[C@H]5O[C@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H](O)[C@@H]6O

Received at FYIcenter.com on: 2024-08-16

Molecule ID: FYI-1012162 Edit

Molecule Structure InChIKey: VNLOLXSJMINBIS-DIIYSANSSA-N

Molecule Structure SMILES String: C[C@H]6O[C@H](OC[C@H]5O[C@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H](O)[C@@H]6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012162
FYIcenter.com

 53 58  0  0  1  0  0  0  0  0999 V2000
   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   11.2000    0.0000 C   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
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   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
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    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
    8.4871    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 O   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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    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
   13.3369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    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
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    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    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 O   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
   10.9120   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   11.2000    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
  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  6  0  0  0
  9  8  1  0  0  0  0
 10  9  1  1  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  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  6  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  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 26 17  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  1  0  0  0  0
 29 22  1  0  0  0  0
 30 18  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 30  1  0  0  0  0
 36 33  1  0  0  0  0
 13 37  1  1  0  0  0
 38 37  1  1  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  6  0  0  0
 45 44  1  0  0  0  0
 41 46  1  6  0  0  0
 40 47  1  6  0  0  0
 39 48  1  1  0  0  0
 12 49  1  6  0  0  0
 11 50  1  1  0  0  0
  5 51  1  1  0  0  0
  4 52  1  1  0  0  0
  3 53  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012162-3D
FYIcenter.com

 93 98  0  0  1  0  0  0  0  0999 V2000
   -3.3960    4.3563   -0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9854    3.7717   -0.7303 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5014    3.7406   -2.0831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2029    3.1536   -2.2300 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1788    1.7598   -1.9750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9559    1.0072   -2.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030   -0.4721   -2.5706 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2633   -0.5709   -1.2284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0852   -1.8504   -0.6281 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3260   -2.1479   -0.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6729   -3.1347    0.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8843   -3.7540    0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1423   -3.3998   -0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -2.2519   -1.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5726   -1.8494   -1.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7007   -2.5967   -1.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9571   -2.1828   -1.5767 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5709   -3.7824   -0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3097   -4.1833   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1504   -4.8117    1.3831 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1754   -5.2877    2.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4879   -6.3780    3.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5347   -6.8424    3.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7832   -7.8863    4.7848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7275   -6.2616    4.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326   -5.1953    3.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2856   -4.6566    3.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634   -4.7044    2.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3014   -3.5090    1.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2800   -2.8214    1.8107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8404   -2.9776   -1.4036 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2725   -2.8473   -1.2129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9934   -4.0937   -1.3313 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4889   -4.3390   -2.6553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5154   -3.4282   -3.1036 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0299   -3.8485   -4.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0188   -3.7661   -5.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6972   -3.4247   -2.1242 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3667   -4.7056   -2.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2314   -3.1248   -0.6956 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3706   -3.2219    0.1730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1400   -4.1266   -0.2909 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6700   -3.9017    1.0419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4710   -2.8768   -2.8981 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1328   -3.3421   -3.1258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414   -1.4307   -3.4239 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0180   -1.0386   -3.3582 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8319    3.8850   -1.3508 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0826    5.2126   -1.8659 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3536    4.0305    0.0964 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2391    4.9075    0.8204 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0632    4.6120    0.1594 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5388    4.6185    1.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0483    3.7300   -1.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3950    5.3481   -1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8330    4.4252    0.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578    2.7489   -0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0844    3.3113   -3.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5872    1.1948   -3.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0028    1.3207   -2.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2619   -0.7306   -2.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5752   -1.6315    0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4679   -1.6041   -1.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6596   -0.9382   -2.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9283   -1.2414   -1.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4529   -4.3797   -0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2747   -5.1145    0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4665   -6.8342    2.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6799   -8.2186    4.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4452   -6.6443    4.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8011   -5.0229    4.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5051   -3.9417   -1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3220   -4.9235   -1.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0749   -2.4314   -3.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8684   -3.2125   -4.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3800   -4.8858   -4.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0578   -2.8746   -5.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4541   -2.6943   -2.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7032   -5.3958   -2.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8573   -2.0982   -0.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8492   -4.0295   -0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5826   -5.1299   -0.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8928   -3.3112    1.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1322   -3.5355   -3.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4639   -2.9799   -2.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3234   -1.3740   -4.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2700   -1.0662   -2.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7933    3.3586   -1.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2562    5.5141   -2.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3773    3.0673    0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5497    5.5669    0.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0433    5.6554   -0.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7512    4.6256    2.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 54  1  0  0  0  0
  1 55  1  0  0  0  0
  1 56  1  0  0  0  0
  2  3  1  0  0  0  0
  2 52  1  0  0  0  0
  2  1  1  0  0  0  0
  2 57  1  1  0  0  0
  3  4  1  0  0  0  0
  4 48  1  0  0  0  0
  4  5  1  0  0  0  0
  4 58  1  6  0  0  0
  5  6  1  0  0  0  0
  6 59  1  0  0  0  0
  6 60  1  0  0  0  0
  7  8  1  0  0  0  0
  7 46  1  0  0  0  0
  7  6  1  0  0  0  0
  7 61  1  6  0  0  0
  8  9  1  0  0  0  0
  9 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 62  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 63  1  0  0  0  0
 15 16  1  0  0  0  0
 15 64  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 65  1  0  0  0  0
 18 19  1  0  0  0  0
 18 66  1  0  0  0  0
 19 67  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  2  0  0  0  0
 22 23  2  0  0  0  0
 22 68  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 69  1  0  0  0  0
 25 26  2  0  0  0  0
 25 70  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 71  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 31 44  1  0  0  0  0
 31 72  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 42  1  0  0  0  0
 33 73  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 38  1  0  0  0  0
 35 74  1  6  0  0  0
 36 37  1  0  0  0  0
 36 75  1  0  0  0  0
 36 76  1  0  0  0  0
 37 77  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 78  1  6  0  0  0
 39 79  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 80  1  1  0  0  0
 41 81  1  0  0  0  0
 42 43  1  0  0  0  0
 42 82  1  6  0  0  0
 43 83  1  0  0  0  0
 44 46  1  0  0  0  0
 44 45  1  0  0  0  0
 44 84  1  6  0  0  0
 45 85  1  0  0  0  0
 46 47  1  0  0  0  0
 46 86  1  6  0  0  0
 47 87  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 88  1  6  0  0  0
 49 89  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 50 90  1  1  0  0  0
 51 91  1  0  0  0  0
 52 53  1  0  0  0  0
 52 92  1  6  0  0  0
 53 93  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-12, 1213👍, 0💬