Molecule FYI-1013262

Molecule Summary:

ID: FYI-1013262
Names:
InChIKey: HMINSCOBWUNKDZ-UHFFFAOYSA-N
SMILES: Oc%30ccc(C%29Oc1c(cc(O)c(O)c1c%28c(O)c(O)c(c%25c(O)c(O)c(c%22c(O)c(O)c(c%19c(O)c(O)c(c%16c(O)c(O)c(c%13c(O)c(O)c(c%10c(O)c(O)c(c7c(O)c(O)c(C4c2cc(O)c(O)cc2OC(c3ccc(O)c(O)c3)C4O)c6OC(c5ccc(O)c(O)c5)C(O)Cc67)c9OC(c8ccc(O)c(O)c8)C(O)Cc9%10)c%12OC(c%11ccc(O)c(O)c%11)C(O)Cc%12%13)c%15OC(c%14ccc(O)c(O)c%14)C(O)Cc%15%16)c%18OC(c%17ccc(O)c(O)c%17)C(O)Cc%18%19)c%21OC(c%20ccc(O)c(O)c%20)C(O)Cc%21%22)c%24OC(c%23ccc(O)c(O)c%23)C(O)Cc%24%25)c%27OC(c%26ccc(O)c(O)c%26)C(O)Cc%27%28)CC%29O)cc%30O

Received at FYIcenter.com on: 2024-11-29

Molecule ID: FYI-1013262 Edit

Molecule Structure InChIKey: HMINSCOBWUNKDZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc%30ccc(C%29Oc1c(cc(O)c(O)c1c%28c(O)c(O)c(c%25c(O)c(O)c(c%22c(O)c(O)c(c%19c(O)c(O)c(c%16c(O)c(O)c(c%13c(O)c(O)c(c%10c(O)c(O)c(c7c(O)c(O)c(C4c2cc(O)c(O)cc2OC(c3ccc(O)c(O)c3)C4O)c6OC(c5ccc(O)c(O)c5)C(O)Cc67)c9OC(c8ccc(O)c(O)c8)C(O)Cc9%10)c%12OC(c%11ccc(O)c(

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FYI-1013262
FYIcenter.com

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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013262-3D
FYIcenter.com

332361  0  0  1  0  0  0  0  0999 V2000
    3.3440   -4.3083   -2.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746   -4.3755   -1.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6777   -3.3795   -0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5502   -3.1060    0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3783   -3.8539    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9578   -3.1481    0.5684 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8049   -2.0054    1.4346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9344   -2.2990    2.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0876   -3.0625    3.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2918   -3.4456    4.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3789   -3.0168    5.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4914   -1.6175    6.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0144   -1.7880    3.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2454   -0.9211    3.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4820    0.4396    2.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5882    1.3180    1.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1845    3.2398   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0828    2.1013   -0.8145 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5049    3.5127    0.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3513    2.4491    0.1107 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8394    4.6859    0.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2437    5.1496    1.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5291    5.9552    2.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8458    6.0118    3.4716 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4605    6.9670    2.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2110    7.9756    3.0995 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4166    7.0420    1.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5925    7.9540    1.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0905    8.5866    0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4018    8.7412   -1.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3686    9.1342    0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6630    9.7701   -1.0349 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2970    9.0350    1.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6648    9.6977    1.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2328   10.4600    2.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6421   10.6056    3.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4348   11.1924    1.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0847   11.6289    3.0661 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0009   11.4716    0.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2287   12.3633    0.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3083   11.9628   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2798   10.7996   -1.0743 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5264   12.6890   -0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4391   12.1887   -1.3711 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8388   13.8127    0.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1672   14.6026    0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0735   14.7916    1.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9900   14.0788    2.3048 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1446   15.7451    1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9037   15.6597    2.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.3017   16.8379    0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8153   18.5700    0.4877 C   0  0  3  0  0  0  0  0  0  0  0  0
   30.5031   19.8202    1.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7880   20.9928    1.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1017   21.6769    3.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002   22.7712    3.5456 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0928   21.2415    3.9905 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2983   21.8511    5.1969 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8748   20.1637    3.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6203   19.5048    2.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2704   18.2956    2.3877 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5442   17.6064    1.3518 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.4730   16.4710    0.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7539   15.4318    1.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8355   14.5334    1.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6742   14.7483    0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8099   14.0051    0.4286 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.4394   15.7733   -0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3170   15.9840   -1.3276 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3638   16.6316   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8323   17.9391    1.8658 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.3632   17.9459    1.9192 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5093   16.5326   -1.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3251   17.5403   -2.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0552   17.2377   -2.6411 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.9563   18.2100   -2.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1267   19.5287   -3.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9917   20.3485   -3.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7010   19.8492   -3.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5806   20.6172   -3.3539 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5400   18.5436   -2.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3501   18.0148   -2.3639 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6458   17.7226   -2.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2439   15.9661   -3.4806 C   0  0  3  0  0  0  0  0  0  0  0  0
   26.3307   15.7194   -4.5425 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0723   14.8566   -2.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6030   15.2910   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8024   14.1242    1.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1417   14.8789    2.4472 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1121   15.0553    3.5036 C   0  0  3  0  0  0  0  0  0  0  0  0
   23.8424   13.9089    4.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8328   12.9775    4.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-12-18, 1203👍, 0💬