Molecule FYI-1013889

A

Molecule Summary:

ID: FYI-1013889
Names:
InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N
SMILES: CCC(C)(C)C(=O)O[C@H]3C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H]23

Received at FYIcenter.com on: 2025-02-09

Molecule ID: FYI-1013889 Edit

Molecule Structure InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N

Molecule Structure SMILES String: CCC(C)(C)C(=O)O[C@H]3C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@H]23

Download SDF Download SVG Structure in 2D SDF:

FYI-1013889
FYIcenter.com

 30 32  0  0  1  0  0  0  0  0999 V2000
    7.2746    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621    5.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   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  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  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
 17 18  1  1  0  0  0
 19 17  1  0  0  0  0
 19 20  1  1  0  0  0
 21 20  1  0  0  0  0
 22 21  1  1  0  0  0
 23 22  1  0  0  0  0
 24 23  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
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 29 22  1  0  0  0  0
 30 19  1  0  0  0  0
 30 14  1  6  0  0  0
 30  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013889-3D
FYIcenter.com

 68 70  0     1  0  0  0  0  0999 V2000
    2.0116   -0.6918    0.1272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7722    0.4901    0.7406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2075   -2.4480   -0.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663   -2.2230    1.7515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3034    0.7153    2.3740 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3664    1.6344    0.4870 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1863    1.4685   -0.5162 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8174    0.3016    1.1289 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2405    2.8400   -1.1166 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5322    2.3703   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0071    0.7189    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0964    0.4859    1.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2636    1.0766    1.1408 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8158    2.1060    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0881    0.4805   -0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9604    3.6279   -1.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082    3.3923   -1.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0824    3.7111   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2635   -0.2860   -0.3662 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0896   -0.0072    0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3284   -0.5594   -1.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902   -1.9297    0.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5410   -1.1849   -0.7542 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5721   -2.9027   -0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0653   -0.2746    0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0130    0.3108    1.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2515   -3.0654   -1.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0609   -4.2618   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6579   -2.3355   -1.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0657   -3.5601   -0.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0226    2.2783    1.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5587    0.8606   -1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0268   -0.0445    1.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299    2.6500   -2.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3952    1.2574    0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865   -0.2625    0.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8541    1.2126    2.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4380   -0.3908    2.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9268    1.5751    1.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6128    2.6596   -0.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4694    1.4313   -1.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6714   -0.0763   -1.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7937    4.4236   -2.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0190    3.9943   -1.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0488    3.2542    0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2976    4.6823   -0.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5671    3.9068    0.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8953   -1.2320    0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1407   -0.9338    1.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7092   -0.2031   -0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1196    0.3456    0.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9232   -1.2280   -2.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6310    0.3750   -1.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3298   -1.3616   -1.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5933    0.5743   -0.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7705   -0.8300    0.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9699   -2.1033   -1.8376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4073   -3.7583   -2.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0346   -4.1654    0.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1702   -4.9888   -0.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717   -4.6825    0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6304   -2.2950   -1.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012   -1.3401   -1.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838   -2.9829   -2.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8651   -3.0099   -0.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2374   -4.5678   -0.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1497   -2.8941    0.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8301   -3.5987   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2 19  1  0  0  0  0
  2 26  1  0  0  0  0
  3 23  1  0  0  0  0
  3 65  1  0  0  0  0
  4 22  2  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 32  1  0  0  0  0
  8 12  1  0  0  0  0
  8 33  1  0  0  0  0
  9 16  1  0  0  0  0
  9 18  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 19  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  2  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 23  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 54  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 27 30  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 62  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 66  1  0  0  0  0
 30 67  1  0  0  0  0
 30 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1115👍, 0💬