Molecule FYI-1010803

A

Molecule Summary:

ID: FYI-1010803
Names:
InChIKey: VHKXXVVRRDYCIK-FWOWVVJPSA-N
SMILES: CCC(C(=O)O)[C@@H]5O[C@@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C4O[C@]3(C=C[C@@H](O)[C@]2(CC[C@@](C)([C@H]1CC[C@](O)(CC)[C@H](C)O1)O2)O3)[C@H](C)C[C@@H]4C)[C@@H](C)C[C@@H]5C

Received at FYIcenter.com on: 2024-07-15

Molecule ID: FYI-1010803 Edit

Molecule Structure InChIKey: VHKXXVVRRDYCIK-FWOWVVJPSA-N

Molecule Structure SMILES String: CCC(C(=O)O)[C@@H]5O[C@@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)C4O[C@]3(C=C[C@@H](O)[C@]2(CC[C@@](C)([C@H]1CC[C@](O)(CC)[C@H](C)O1)O2)O3)[C@H](C)C[C@@H]4C)[C@@H](C)C[C@@H]5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010803
FYIcenter.com

 54 58  0  0  1  0  0  0  0  0999 V2000
    9.0830    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2955    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5079    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5079    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7203    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7203   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5079   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2955   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2955    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2955   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8706   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8706   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917   11.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6549   10.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3549    8.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7243    9.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7854    7.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9567    8.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    9.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7962    9.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1606    8.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9231    7.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    7.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    6.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    8.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3981    9.7709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6581   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5079   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9328    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7203    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9328    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7203    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5079    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9328    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9328    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7203    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1452    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1452    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3576    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5701    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5701    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3576    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7825    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9950    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9950    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7825    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9950    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5701    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7825    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9328    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1452    4.9000    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  6  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
  8  7  1  0  0  0  0
  8  9  1  6  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  1  0  0  0
 14  8  1  0  0  0  0
 15 13  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
 18 13  1  0  0  0  0
 17 19  1  1  0  0  0
 20 17  1  0  0  0  0
 21 20  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
 20 25  1  6  0  0  0
 24 26  1  1  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 23 29  1  6  0  0  0
 12 30  1  6  0  0  0
  7 31  1  6  0  0  0
  5 32  1  6  0  0  0
 33  3  1  0  0  0  0
 34 33  2  0  0  0  0
 35 33  1  0  0  0  0
 35 36  1  6  0  0  0
 37 35  1  0  0  0  0
 38 37  1  0  0  0  0
 38 39  1  1  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 44 45  1  1  0  0  0
 40 45  1  6  0  0  0
 46 44  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 46  1  0  0  0  0
 50 49  2  0  0  0  0
 51 49  1  0  0  0  0
 43 52  1  1  0  0  0
 41 53  1  6  0  0  0
 37 54  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-07-25, 969👍, 0💬