Molecule FYI-1010436

A

Molecule Summary:

ID: FYI-1010436
Names:
InChIKey: NAOJYHWAAQJVSQ-CRJLGRKESA-N
SMILES: C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C4=C(CC[C@]12C)[C@@]3(C)CC[C@H](O)C(C)(C)C3C[C@H]4OC5OC(CO)C(O)C(O)C5O)C(C)C

Received at FYIcenter.com on: 2024-06-05

Molecule ID: FYI-1010436 Edit

Molecule Structure InChIKey: NAOJYHWAAQJVSQ-CRJLGRKESA-N

Molecule Structure SMILES String: C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C4=C(CC[C@]12C)[C@@]3(C)CC[C@H](O)C(C)(C)C3C[C@H]4OC5OC(CO)C(O)C(O)C5O)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010436
FYIcenter.com

 47 51  0  0  1  0  0  0  0  0999 V2000
    9.8316   12.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6191   11.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6191   10.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4067   12.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4067   13.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1943   11.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9818   12.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694   11.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694   10.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368    9.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0694    7.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4694    7.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9020    9.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2714    9.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2081    8.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7755    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4062    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9735    5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2797    4.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7123    6.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0817    6.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0185    5.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5859    4.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    3.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1761    2.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5075    2.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5227    3.0780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1449    7.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6041    5.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1715    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    2.9541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818    0.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8653    4.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1931   10.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8999    6.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2464    6.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5569   12.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5569   13.6433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3445   11.5433    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  6  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  1  0  0  0  0
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  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 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 24 28  1  6  0  0  0
 21 29  1  6  0  0  0
 18 30  1  1  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
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 31  1  0  0  0  0
 37 35  1  0  0  0  0
 38 37  1  0  0  0  0
 39 34  1  0  0  0  0
 40 33  1  0  0  0  0
 41 32  1  0  0  0  0
 13 42  1  6  0  0  0
 12 43  1  1  0  0  0
 11 44  1  1  0  0  0
 45  8  1  0  0  0  0
 46 45  2  0  0  0  0
 47 45  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-06-30, 1074👍, 0💬