Molecule FYI-1010952

A

Molecule Summary:

ID: FYI-1010952
Names:
InChIKey: ZTHCHEYYZNTCSW-VIWUOCNKSA-N
SMILES: C/C=C(C)\\[C@H]5O[C@@]4(C[C@@H]1C[C@@H](C/C=C(C)\\C(OC(=O)C(C)C)[C@@H](C)/C=C/C=C/2CO[C@@H]3[C@H](O)C(C)=CC(C(=O)O1)[C@]23O)O4)[C@H](O)C(OC(=O)C(C)C)[C@@H]5C

Received at FYIcenter.com on: 2024-07-18

Molecule ID: FYI-1010952 Edit

Molecule Structure InChIKey: ZTHCHEYYZNTCSW-VIWUOCNKSA-N

Molecule Structure SMILES String: C/C=C(C)\[C@H]5O[C@@]4(C[C@@H]1C[C@@H](C/C=C(C)\C(OC(=O)C(C)C)[C@@H](C)/C=C/C=C/2CO[C@@H]3[C@H](O)C(C)=CC(C(=O)O1)[C@]23O)O4)[C@H](O)C(OC(=O)C(C)C)[C@@H]5C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010952
FYIcenter.com

 54 58  0  0  1  0  0  0  0  0999 V2000
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    8.0837    6.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8997    5.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0929    6.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7830    4.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4053    4.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2886    5.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    2.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285    1.5581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5056    1.3803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0812    3.7291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4613    6.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0162    1.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9072    1.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5755    2.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8963    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6779    4.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3513    3.8323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5399    7.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5056    8.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7010    8.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    8.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    8.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103   10.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8963    8.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  1  0  0  0
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 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  6  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  1  0  0  0
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 12 37  1  6  0  0  0
 28 38  1  6  0  0  0
 20 39  1  6  0  0  0
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  8 47  1  6  0  0  0
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 51 49  1  0  0  0  0
 52 51  1  0  0  0  0
 53 51  1  0  0  0  0
  6 54  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010952-3D
FYIcenter.com

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