Molecule FYI-1006702

A

Molecule Summary:

ID: FYI-1006702
Names:
InChIKey: DLRDLJKUBGLYIX-GYQVLBBESA-N
SMILES: C#CCCC(=O)O[C@H]5[C@H](O)[C@H](OCC24C[C@@H]1[C@H](C)CC[C@H]1C3(C=O)CC2C=C(C(C)C)C34C(=O)O)O[C@H](C)[C@H]5OC

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006702 Edit

Molecule Structure InChIKey: DLRDLJKUBGLYIX-GYQVLBBESA-N

Molecule Structure SMILES String: C#CCCC(=O)O[C@H]5[C@H](O)[C@H](OCC24C[C@@H]1[C@H](C)CC[C@H]1C3(C=O)CC2C=C(C(C)C)C34C(=O)O)O[C@H](C)[C@H]5OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006702
FYIcenter.com

 41 45  0  0  1  0  0  0  0  0999 V2000
   13.9508    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9931    1.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1055    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7410    4.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5978    2.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0017    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2639    4.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6067    2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    5.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0021    6.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5334    7.7361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8238    4.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9169    3.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9598    2.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1372    4.3102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5188    2.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6762    1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5981    0.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9116    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3545    3.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9744    5.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4825    4.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2100    3.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1531    4.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9884    3.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8236    4.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8236    5.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6589    3.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    4.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3295    3.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1647    4.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3295    2.0174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6589    2.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    1.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8236    1.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8236    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9884    2.0174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
  7  4  1  6  0  0  0
  6 21  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  6  0  0  0
 26 25  1  0  0  0  0
 26 27  1  6  0  0  0
 28 26  1  0  0  0  0
 28 29  1  1  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  3  0  0  0  0
 35 30  2  0  0  0  0
 36 28  1  0  0  0  0
 36 37  1  1  0  0  0
 38 37  1  0  0  0  0
 39 36  1  0  0  0  0
 39 40  1  6  0  0  0
 41 39  1  0  0  0  0
 41 25  1  0  0  0  0
  8 22  1  0  0  0  0
  5  8  1  1  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-01-24, 1439👍, 0💬