Molecule FYI-1013309

A

Molecule Summary:

ID: FYI-1013309
Names:
InChIKey: ZFTFOHBYVDOAMH-XNOIKFDKSA-N
SMILES: OC[C@H]3O[C@@](CO)(OC[C@H]2O[C@@](CO)(OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]3O

Received at FYIcenter.com on: 2024-12-06

Molecule ID: FYI-1013309 Edit

Molecule Structure InChIKey: ZFTFOHBYVDOAMH-XNOIKFDKSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1013309
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
   11.1587    2.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0932    3.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7483    1.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639    2.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0704    3.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    2.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4434    1.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5235    0.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2532    3.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1333    5.1120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6254    3.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6739    0.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7862    2.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8243    2.3538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8519    3.0775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1909    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5193    2.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9063    2.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5075    1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4217    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4593    3.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091    1.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4313    3.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8183    3.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2172    2.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2711    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3938    2.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    1.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0380    0.0343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4938    4.9295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8867    4.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1511    2.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0290    0.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  1  0  0  0
  7 12  1  6  0  0  0
 13  9  1  1  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 14  1  1  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  6  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  6  0  0  0
 18 24  1  6  0  0  0
 18 25  1  1  0  0  0
 19 26  1  1  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 22 29  1  1  0  0  0
 23 30  1  0  0  0  0
 24 31  1  0  0  0  0
 27 32  1  1  0  0  0
 28 33  1  6  0  0  0
 32 34  1  0  0  0  0
  6  7  1  0  0  0  0
 18 19  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013309-3D
FYIcenter.com

 66 68  0     1  0  0  0  0  0999 V2000
   -0.2420    1.9738   -0.7951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3955    1.1638   -0.3275 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0692    0.3872   -0.6363 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2650   -1.1423    0.6840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9446   -1.5910   -0.5210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6786    3.0417    1.6383 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2422    2.8199    2.6324 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7397   -0.1177   -2.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2923   -0.3147   -1.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3631   -1.1765   -1.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9078   -2.4424    1.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4747   -1.2612    1.7423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400    4.5562   -1.3319 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3298   -1.7188   -2.3629 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5237   -0.4430    3.0946 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5569   -3.2362    1.3414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5907    2.3380   -0.4474 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5388    1.8905    0.4148 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4638    3.0098    0.9161 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4145    2.1419    1.5776 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7394   -0.8744   -0.6293 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9721   -0.8015   -1.5246 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9552   -0.9377   -1.3160 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2156    0.5327    0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496   -0.0759   -0.6248 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2679   -1.0531   -0.5494 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6423   -0.7162    0.7242 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0367   -2.3235    0.2410 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5733   -2.1647    0.6402 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5437    0.5017   -1.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1758    3.2561   -1.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7716   -1.9729   -1.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8426    0.2355    1.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9090   -3.4852    0.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066    2.6708    0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0795    4.0351    0.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8518    1.2223    1.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3503   -1.8038   -1.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0078   -1.4666   -2.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770    0.4782    1.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4432   -0.2409    0.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7769    1.0062   -0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4683   -0.2058    0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415   -1.6200    0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1803   -3.2016   -0.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5977    0.4884   -2.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3113    0.9979   -2.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9189    2.9278   -2.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2657    3.3229   -1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9004   -2.0402   -0.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2646   -2.9512   -1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1786    1.1023    1.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8803    0.5793    1.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188    3.5493    1.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3961   -3.9508    1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9198   -4.1765    0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250    3.6414    2.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980   -0.0160   -3.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4413   -1.2753   -1.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2127   -1.9504   -2.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8179   -2.4187    1.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6115   -1.4015    2.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    5.1244   -2.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7196   -2.4364   -2.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6589    0.1869    3.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1536   -4.0935    1.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2 17  1  0  0  0  0
  2 30  1  0  0  0  0
  3 21  1  0  0  0  0
  3 24  1  0  0  0  0
  4 21  1  0  0  0  0
  4 27  1  0  0  0  0
  5 23  1  0  0  0  0
  5 29  1  0  0  0  0
  6 19  1  0  0  0  0
  6 54  1  0  0  0  0
  7 20  1  0  0  0  0
  7 57  1  0  0  0  0
  8 22  1  0  0  0  0
  8 58  1  0  0  0  0
  9 25  1  0  0  0  0
  9 59  1  0  0  0  0
 10 26  1  0  0  0  0
 10 60  1  0  0  0  0
 11 28  1  0  0  0  0
 11 61  1  0  0  0  0
 12 29  1  0  0  0  0
 12 62  1  0  0  0  0
 13 31  1  0  0  0  0
 13 63  1  0  0  0  0
 14 32  1  0  0  0  0
 14 64  1  0  0  0  0
 15 33  1  0  0  0  0
 15 65  1  0  0  0  0
 16 34  1  0  0  0  0
 16 66  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 25  1  0  0  0  0
 22 38  1  0  0  0  0
 23 26  1  0  0  0  0
 23 30  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 27  1  0  0  0  0
 25 42  1  0  0  0  0
 26 28  1  0  0  0  0
 26 43  1  0  0  0  0
 27 33  1  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 34  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 48  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
 34 55  1  0  0  0  0
 34 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-12-18, 1110👍, 0💬