Molecule FYI-1007821

A

Molecule Summary:

ID: FYI-1007821
Names:
InChIKey: PYLJVMJDBNZGST-COBFFHJSSA-N
SMILES: CC2(CO)C(O)CCC3(C)C(C/C=C\\1C(=O)OCC1O)C(=[Ag])C([Ag])C([Ag])C23

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007821 Edit

Molecule Structure InChIKey: PYLJVMJDBNZGST-COBFFHJSSA-N

Molecule Structure SMILES String: CC2(CO)C(O)CCC3(C)C(C/C=C\1C(=O)OCC1O)C(=[Ag])C([Ag])C([Ag])C23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007821
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.8531    1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0695    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7029    1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.5292    0.0000 Ag  0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.1292    0.0000 Ag  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 22  6  1  0  0  0  0
 23  6  1  0  0  0  0
 24 23  1  0  0  0  0
 25  5  1  0  0  0  0
  9 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007821-3D
FYIcenter.com

 53 55  0  0  1  0  0  0  0  0999 V2000
    0.8304    0.0069    0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3661   -0.0361   -0.1004 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5209   -0.1713   -1.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8445   -1.3068   -2.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483   -1.2971    0.6391 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4463   -1.4490    1.9504 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4897   -1.3173    0.6610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0703   -0.0583    1.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6596    1.2586    0.6240 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4446    1.3410   -0.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0625    2.5198    1.4996 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5784    2.7516    1.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7864    3.8960    2.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9998    4.3188    3.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2691    5.4009    4.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    6.1246    4.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5837    5.5215    4.3145 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2678    4.4542    3.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3412    3.8583    2.6748 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6078    4.4105    1.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4868    3.7529    0.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6101    5.1953    0.2657 Ag  0  0  0  0  0  0  0  0  0  0  0  0
    3.0147    3.8084    0.6482 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4482    5.6196   -0.3338 Ag  0  0  0  0  0  0  0  0  0  0  0  0
    2.5604    2.5981   -0.1661 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2085    2.8065   -2.1984 Ag  0  0  0  0  0  0  0  0  0  0  0  0
    3.0580    1.2745    0.4899 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3436   -0.9424   -0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3269    0.8192   -0.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6066    0.1513    1.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5605   -0.2070   -1.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755    0.7125   -2.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5249   -1.9457   -2.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023   -2.2074    0.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9151    4.3893    3.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3739    3.7066    4.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6772    5.4003    1.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5310    3.7821    1.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4560    2.6521   -0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900    1.3214    1.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
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 15 16  2  0  0  0  0
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 25 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1200👍, 0💬