Molecule FYI-1002098

Molecule Summary:

ID: FYI-1002098
Names:
InChIKey: KTGFNPYXKIRORF-UHFFFAOYSA-O
SMILES: COc%20cc7cc%21[OH+]c1c(OC)cc(cc1OC)C4Oc2c(OC)cc%16cc2c3cc(cc(OC)c3OC4CO)C5OCC6C5COC6c%13cc(OC)c%12OC(CO)Cc%19cc(OC)c%18OC(CO)Cc%10cc(OC)c9OC(CO)Cc%14cc(OC)c(OC(CO)Cc%11cc(OC)c(OC(CO)Cc8cc(OC)c(OC(CO)C7)c(c8)c9c%10)c(c%11)c%12c%13)c(c%14)c%15cc(cc(OC)c%15OC(CO)Cc%17cc(OC)c(OC(CO)C%16)c(c%17)c%18c%19)CC(CO)Oc%20%21

Received at FYIcenter.com on: 2023-01-29

Molecule ID: FYI-1002098 Edit

Molecule Structure InChIKey: KTGFNPYXKIRORF-UHFFFAOYSA-O

Molecule Structure SMILES String: COc%20cc7cc%21[OH+]c1c(OC)cc(cc1OC)C4Oc2c(OC)cc%16cc2c3cc(cc(OC)c3OC4CO)C5OCC6C5COC6c%13cc(OC)c%12OC(CO)Cc%19cc(OC)c%18OC(CO)Cc%10cc(OC)c9OC(CO)Cc%14cc(OC)c(OC(CO)Cc%11cc(OC)c(OC(CO)Cc8cc(OC)c(OC(CO)C7)c(c8)c9c%10)c(c%11)c%12c%13)c(c%14)c%15cc(cc(OC)c%15OC

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FYI-1002098
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158155  2  0  0  0  0
158  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002098-3D
FYIcenter.com

289309  0  0  1  0  0  0  0  0999 V2000
    1.3164    1.9965    0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1130    2.6487    1.9148 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6960    3.7735    3.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930    3.6726    4.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3067    4.7004    4.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621    5.5810    3.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8452    5.5192    2.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7713    4.8257    1.0306 O   0  3  0  0  0  0  0  0  0  0  0  0
    5.3671    4.9054    0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5476    4.5322    1.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    3.2463    2.0481 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4074    3.0264    2.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5072    5.5196    1.9162 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4765    6.7520    1.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7376    5.9160   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5073    8.8203    3.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7497    9.7021    6.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1017    9.3533    6.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2785    7.5143    3.7462 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0299    9.6715    8.3587 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5330    8.3949    8.9108 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3279    7.3877    9.2861 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2824    8.4035    9.0193 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0311    8.8831   10.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7187    8.1671   11.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6392    6.8988   10.8849 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9380    6.3099   11.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9358    5.2840   10.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6459    4.8991   10.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4514    3.4588    9.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6925    0.3254   12.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7145   -0.4896   11.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5465   -0.2345   10.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1133    0.2070   10.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8639   -1.3506   10.6359 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1787   -1.8848    9.1776 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2910   -2.0093    8.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8924   -3.2714    7.8427 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3464   -1.0056    8.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6917    0.6322    6.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964    1.8108    7.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9790    3.6854    7.2704 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-02-19, 2275👍, 0💬