Molecule FYI-1012004

A

Molecule Summary:

ID: FYI-1012004
Names:
InChIKey: WPVRGZPCRCFTNS-UHFFFAOYSA-N
SMILES: CC1(C)OC3(C)CCC1C(OC2OC(CO)C(O)C(O)C2O)C3

Received at FYIcenter.com on: 2024-08-14

Molecule ID: FYI-1012004 Edit

Molecule Structure InChIKey: WPVRGZPCRCFTNS-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1(C)OC3(C)CCC1C(OC2OC(CO)C(O)C(O)C2O)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012004
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.5740    4.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1904    2.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9443    1.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9887    0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1914    1.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3495    2.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1734    3.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8618    4.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3783    3.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    4.5743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3956    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2637    4.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3956    2.6139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2637    0.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6051    2.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 12  1  0  0  0  0
 22  6  1  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012004-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
    1.0935   -0.5144    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215   -0.3524    0.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1576   -0.3224   -1.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1616   -1.5420    0.8752 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8767   -1.3139    2.1027 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3638   -2.6732    2.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178   -0.6593    3.1070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4904    0.7137    2.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0258    0.8949    1.1305 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5713    0.9721    1.2124 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9665    2.1787    1.9040 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3684    2.3889    2.1406 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6014    3.6496    2.8105 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3837    4.8285    2.0038 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7553    6.0845    2.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8698    6.3018    3.9255 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2462    4.7861    0.7308 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6521    4.8912    1.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8852    3.4371   -1.1750 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2558    1.0543    0.2171 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 51  1  0  0  0  0
M  END
$$$$

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2024-10-14, 971👍, 0💬