Molecule FYI-1011751

A

Molecule Summary:

ID: FYI-1011751
Names:
InChIKey: MVXYVHBRCFDZCJ-UHFFFAOYSA-N
SMILES: CC6OC(OC4C(O)C(CO)OC(Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)C4OC5OCC(O)C(O)C5O)C(O)C(O)C6O

Received at FYIcenter.com on: 2024-08-11

Molecule ID: FYI-1011751 Edit

Molecule Structure InChIKey: MVXYVHBRCFDZCJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC6OC(OC4C(O)C(CO)OC(Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)C4OC5OCC(O)C(O)C5O)C(O)C(O)C6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011751
FYIcenter.com

 51 56  0  0  0  0  0  0  0  0999 V2000
    7.2747   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.2000    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   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    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
    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 O   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 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
   10.9120    7.0000    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
   13.3369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.4000    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
   10.9120    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    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
    6.0622    4.2000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   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
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
   10.9120    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  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
  8  6  1  0  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
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 13  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
 35 34  1  0  0  0  0
 35 26  1  0  0  0  0
 36 35  2  0  0  0  0
 37 33  1  0  0  0  0
 38 31  1  0  0  0  0
 39 27  1  0  0  0  0
 40 39  2  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 44 39  1  0  0  0  0
 45 42  1  0  0  0  0
 46 11  1  0  0  0  0
 47 46  1  0  0  0  0
 48 10  1  0  0  0  0
 49  5  1  0  0  0  0
 50  4  1  0  0  0  0
 51  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011751-3D
FYIcenter.com

 89 94  0  0  1  0  0  0  0  0999 V2000
   -0.4702   -1.5051   -4.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899   -1.6816   -5.2012 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8418   -0.9505   -4.3008 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7955    0.4938   -4.4322 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5617    0.9951   -3.3301 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7765    2.3944   -3.0553 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5787    2.4484   -1.7411 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0403    3.7909   -1.5085 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7127    1.9740   -0.5650 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5770    1.9778    0.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8351    1.5402    1.8374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5657    2.8547   -0.4318 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7104    2.7724   -1.6218 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5775    3.3886   -1.3282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4979    2.5978   -0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3630    3.0898    0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5372    4.5167    0.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8115    4.9629    1.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9948    6.2124    1.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8982    7.0393    1.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9984    8.2274    2.6513 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6454    6.6644    1.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4622    5.4040    0.9282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2680    2.3024    1.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4021    0.9759    0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3765    0.2746    1.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5846   -1.0792    1.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5282   -1.8091    1.9369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8324   -1.7419    0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8598   -1.0393   -0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1417   -1.7128   -1.3373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6395    0.3282   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6624    1.1264   -0.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304    0.5960   -1.8069 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347    3.3631   -2.8538 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8687    3.6982   -4.1038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188    4.2098   -5.0882 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6735    5.2610   -4.6472 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2462    6.5921   -4.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8059    6.8201   -6.3407 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9142    6.7170   -7.2575 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7471    5.7937   -6.7560 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4541    5.9865   -8.1485 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2694    4.3811   -6.5182 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3043    3.3666   -6.8155 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3307    0.7736   -5.8581 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6570    0.2345   -6.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3772    0.1502   -6.8956 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8414    0.4340   -8.2227 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760   -1.3657   -6.6832 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3063   -1.9777   -7.5411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5781   -1.7143   -3.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1313   -2.1779   -5.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8186   -0.4815   -4.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2228   -2.7451   -5.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7673    0.8406   -4.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4661    2.7567   -3.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4652    1.8122   -1.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3884    4.2431   -0.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3318    0.9565   -0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9778    2.9705    0.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4234    1.2932    0.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0829    2.1529    1.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5965    1.7262   -1.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6833    4.3176    1.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9821    6.5022    2.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7993    8.2067    3.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8025    7.3304    1.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    5.1146    0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9689    0.7932    2.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9822   -1.2435    2.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0230   -2.7934    0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3893   -2.6498   -1.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8871    4.3369   -2.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5188    3.4096   -5.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1192    7.2227   -4.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591    6.8567   -4.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4147    7.8357   -6.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    6.3141   -6.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1882    5.9498   -6.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179    6.1552   -8.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993    4.2180   -7.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4835    3.5531   -6.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    1.8195   -6.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8047   -0.4037   -5.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822    0.6030   -6.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7941    0.2218   -8.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2371   -1.8117   -6.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5158   -1.4589   -7.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  2  3  1  0  0  0  0
  2 50  1  0  0  0  0
  2 55  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 46  1  0  0  0  0
  4 56  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 57  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 58  1  0  0  0  0
  8 59  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 60  1  0  0  0  0
 10 11  1  0  0  0  0
 10 61  1  0  0  0  0
 10 62  1  0  0  0  0
 11 63  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 64  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  2  0  0  0  0
 18 65  1  0  0  0  0
 19 20  1  0  0  0  0
 19 66  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 67  1  0  0  0  0
 22 23  1  0  0  0  0
 22 68  1  0  0  0  0
 23 69  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 32  2  0  0  0  0
 26 27  2  0  0  0  0
 26 70  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 71  1  0  0  0  0
 29 30  2  0  0  0  0
 29 72  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 73  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 35 36  1  0  0  0  0
 35 74  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 44  1  0  0  0  0
 37 75  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 76  1  0  0  0  0
 39 77  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 78  1  0  0  0  0
 41 79  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 80  1  0  0  0  0
 43 81  1  0  0  0  0
 44 45  1  0  0  0  0
 44 82  1  0  0  0  0
 45 83  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 46 84  1  0  0  0  0
 47 85  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 86  1  0  0  0  0
 49 87  1  0  0  0  0
 50 51  1  0  0  0  0
 50 88  1  0  0  0  0
 51 89  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 901👍, 0💬