Molecule FYI-1000304

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Molecule Summary:

ID: FYI-1000304
SMILES: O=C\\C2=C(/C)C[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)CC2(C)C

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000304 Edit

Molecule Structure SMILES String: O=CC2=C(/C)C[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)CC2(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000304
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
    8.4871    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   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 O   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
    4.8498    1.4000    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
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    5.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 14 12  1  0  0  0  0
 14 15  1  1  0  0  0
 16 14  1  0  0  0  0
 16  9  1  0  0  0  0
 16 17  1  6  0  0  0
 11 18  1  1  0  0  0
 19 18  1  0  0  0  0
 20  7  1  0  0  0  0
 21 20  1  0  0  0  0
 21  3  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000304-3D
FYIcenter.com

 49 50  0  0  1  0  0  0  0  0999 V2000
    7.6349    4.5860    7.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7063    3.8328    6.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9782    4.0668    4.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3650    3.4039    3.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4515    2.3611    3.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7227    3.6754    2.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8491    4.9295    2.3317 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9978    4.8914    1.1754 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7029    4.9908   -0.0685 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3420    6.2621   -0.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0966    6.4511   -1.3557 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1921    6.3448   -2.5897 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9918    6.4734   -3.7699 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4582    4.9958   -2.5664 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5867    4.8927   -3.6971 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7092    4.7918   -1.2380 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1086    3.4868   -1.2069 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7667    7.8285   -1.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7959    8.8323   -0.9634 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9720    4.9928    3.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8075    5.0707    4.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8229    4.7654    6.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3355    6.5123    5.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3459    2.9447    6.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9475    2.0904    4.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2285    2.7154    2.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0275    1.4393    3.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1351    2.7969    2.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5216    3.7738    1.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4714    5.8305    2.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502    4.1907   -0.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8917    5.6958   -1.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4483    7.1508   -2.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9578    5.6369   -4.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1829    4.1834   -2.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8391    5.5038   -3.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8840    5.5084   -1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827    2.8215   -1.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4930    7.8348   -0.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2874    8.1016   -2.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    8.4991   -0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3202    4.1067    3.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2838    5.8458    3.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4686    3.7289    6.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9451    5.4206    5.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2672    4.9191    7.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542    6.7765    4.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8354    6.6618    6.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5144    7.2376    5.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  6  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9  8  1  0  0  0  0
  9 31  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 32  1  6  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  1  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  6  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  1  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END
$$$$

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2022-07-01, 2529👍, 0💬