Molecule FYI-1016676

A

Molecule Summary:

ID: FYI-1016676
Names:
InChIKey: XDHNQDDQEHDUTM-ROZMNZCYSA-N
SMILES: CO/C2=C/C(C)=C\\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O1)OC2=O

Received at FYIcenter.com on: 2026-02-11

Molecule ID: FYI-1016676 Edit

Molecule Structure InChIKey: XDHNQDDQEHDUTM-ROZMNZCYSA-N

Molecule Structure SMILES String: CO/C2=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O1)OC2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016676
FYIcenter.com

 44 45  0  0  1  0  0  0  0  0999 V2000
   16.5398    4.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1517    4.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0602    5.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4410    7.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3884    8.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0628    8.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6657    8.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4101    7.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0371    5.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1287    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7763    3.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7479    2.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8004    1.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1260    1.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5231    1.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7788    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7018    3.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9142    2.4514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6309    0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9433    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6371    1.9089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8198    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5579    8.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0937   10.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5517    7.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  6  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18  2  1  0  0  0  0
 18 19  1  6  0  0  0
 17 20  1  6  0  0  0
 21 15  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
 24  9  1  0  0  0  0
 24 25  1  6  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  1  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 34 29  1  0  0  0  0
 33 35  1  6  0  0  0
 36 35  1  0  0  0  0
 37 35  1  0  0  0  0
 32 38  1  1  0  0  0
 31 39  1  6  0  0  0
 29 40  1  1  0  0  0
 26 41  1  1  0  0  0
  8 42  1  1  0  0  0
 43 42  1  0  0  0  0
 44  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016676-3D
FYIcenter.com

102103  0     1  0  0  0  0  0999 V2000
   -4.8244   -0.1279   -0.7173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0940   -1.8248    0.3508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2713    1.3497    3.1249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1919   -0.7401   -1.2544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3984   -0.6288    0.2993 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121   -4.1374   -0.6413 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4021    0.4643   -1.4646 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0171    1.4826    1.6767 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9844    1.6741    1.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8529   -1.1184    0.3153 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6270    1.6620    0.7474 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8175    0.8974   -0.5783 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7316   -2.1150    0.0222 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6221   -0.4554    1.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6259    0.6702    1.9236 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3262   -1.4652   -0.0284 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6794    1.7944   -1.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -2.4328    0.1228 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6895    2.7458    0.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0384   -2.8432   -1.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1699   -1.8533   -0.4421 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3058    2.4618   -1.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9118    0.9942   -3.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9147   -2.8051    1.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704   -2.8074   -0.2679 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5067   -2.4164   -1.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9476    0.4435   -0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7485   -2.0263   -0.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8970   -5.0900   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9210    0.6449   -0.8297 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8642    1.6157    0.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0709    1.9109    0.0680 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3204   -1.9248    0.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4224   -0.6977   -0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7462    2.5326    0.6130 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5072   -1.3585    0.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5537    2.7542    0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6985    0.8832   -2.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8462    2.9829   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057    3.0772   -0.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1080    1.6781    1.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0344   -1.4268    2.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8790    3.6560   -1.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2804    1.9197    1.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6456    2.1512    0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8102    0.4281   -0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7367   -2.8734    0.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6367   -0.0001    1.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7051   -1.1920    2.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6312    0.2539    2.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2042   -0.7305    0.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4446    2.5786   -1.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3558   -3.3509   -0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6988    2.3246    0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6059    3.5392    0.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5818    3.2240    1.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9619   -3.4276   -1.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2461   -3.5540   -1.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1459   -2.1565   -2.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0265   -1.6349   -1.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9318   -2.7556    0.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4792    1.7514   -1.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1825    3.1847   -1.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1881    3.0306   -2.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1397    0.2330   -3.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9009    1.6558   -3.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8853    0.4931   -3.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2829    0.6966    3.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867   -1.9510    2.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8478   -3.1686    2.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1888   -3.6126    1.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9479   -0.1368   -1.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849   -2.7793    0.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737   -2.4397   -2.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -1.7684   -1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5374   -6.0871   -0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027   -5.0171    1.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9123   -4.9826   -0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    0.5436   -1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5463    2.6994   -0.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7463   -2.3720    1.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4237   -0.5656    0.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5832   -1.4227   -1.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0520    3.4603    1.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4033    3.5652    1.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7709    0.9979   -1.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3416    1.7859   -2.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5629    0.0462   -2.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4174    3.3414   -1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    0.7823    1.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    2.2464    2.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459    1.3692    2.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9480   -2.0300    2.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3165   -1.8801    2.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2716   -0.4309    2.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0844    2.5054    1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    4.5743   -1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785    2.9493   -2.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    3.9094   -2.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9555    1.6419    2.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6525    1.4699    0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071    3.0112    1.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  2 61  1  0  0  0  0
  3 15  1  0  0  0  0
  3 68  1  0  0  0  0
  4 16  1  0  0  0  0
  4 72  1  0  0  0  0
  5 21  1  0  0  0  0
  5 27  1  0  0  0  0
  6 25  1  0  0  0  0
  6 29  1  0  0  0  0
  7 27  2  0  0  0  0
  8 31  1  0  0  0  0
  8 44  1  0  0  0  0
  9 32  1  0  0  0  0
  9 96  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 11 45  1  0  0  0  0
 12 17  1  0  0  0  0
 12 46  1  0  0  0  0
 13 16  1  0  0  0  0
 13 20  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 18  1  0  0  0  0
 16 51  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 52  1  0  0  0  0
 18 21  1  0  0  0  0
 18 24  1  0  0  0  0
 18 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 20 59  1  0  0  0  0
 21 25  1  0  0  0  0
 21 60  1  0  0  0  0
 22 62  1  0  0  0  0
 22 63  1  0  0  0  0
 22 64  1  0  0  0  0
 23 65  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 69  1  0  0  0  0
 24 70  1  0  0  0  0
 24 71  1  0  0  0  0
 25 26  1  0  0  0  0
 25 73  1  0  0  0  0
 26 28  2  0  0  0  0
 26 74  1  0  0  0  0
 27 31  1  0  0  0  0
 28 33  1  0  0  0  0
 28 75  1  0  0  0  0
 29 76  1  0  0  0  0
 29 77  1  0  0  0  0
 29 78  1  0  0  0  0
 30 32  1  0  0  0  0
 30 34  1  0  0  0  0
 30 38  1  0  0  0  0
 30 79  1  0  0  0  0
 31 37  2  0  0  0  0
 32 35  1  0  0  0  0
 32 80  1  0  0  0  0
 33 36  2  0  0  0  0
 33 81  1  0  0  0  0
 34 36  1  0  0  0  0
 34 82  1  0  0  0  0
 34 83  1  0  0  0  0
 35 39  1  0  0  0  0
 35 41  1  0  0  0  0
 35 84  1  0  0  0  0
 36 42  1  0  0  0  0
 37 40  1  0  0  0  0
 37 85  1  0  0  0  0
 38 86  1  0  0  0  0
 38 87  1  0  0  0  0
 38 88  1  0  0  0  0
 39 40  2  0  0  0  0
 39 89  1  0  0  0  0
 40 43  1  0  0  0  0
 41 90  1  0  0  0  0
 41 91  1  0  0  0  0
 41 92  1  0  0  0  0
 42 93  1  0  0  0  0
 42 94  1  0  0  0  0
 42 95  1  0  0  0  0
 43 97  1  0  0  0  0
 43 98  1  0  0  0  0
 43 99  1  0  0  0  0
 44100  1  0  0  0  0
 44101  1  0  0  0  0
 44102  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 930👍, 0💬