Molecule FYI-1003515

A

Molecule Summary:

ID: FYI-1003515
Names:
InChIKey: OPJZLUXFQFQYAI-UHFFFAOYSA-N
SMILES: O=c3c(OC1OC(C(O)CO)C(O)C1O)c(c2ccc(O)c(O)c2)oc4cc(O)cc(O)c34

Received at FYIcenter.com on: 2023-06-26

Molecule ID: FYI-1003515 Edit

Molecule Structure InChIKey: OPJZLUXFQFQYAI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c3c(OC1OC(C(O)CO)C(O)C1O)c(c2ccc(O)c(O)c2)oc4cc(O)cc(O)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003515
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   11.4223    7.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2452    8.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6759    9.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2836    9.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4606    8.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    7.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2071    6.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    6.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9919    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5996    5.2622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5614    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7385    2.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3079    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7002    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5231    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9537    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7766    4.8233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2697    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3462    2.8507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    7.5275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    7.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    8.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    8.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    6.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7433    9.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225   10.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7140   10.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4988   10.6327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 12  1  0  0  0  0
 20  8  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 23  1  0  0  0  0
 31 22  1  0  0  0  0
 32  4  1  0  0  0  0
 33  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003515-3D
FYIcenter.com

 53 56  0     1  0  0  0  0  0999 V2000
    2.1745    1.3224   -0.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7474   -0.2201    0.9720 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4989   -0.2623    2.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4982   -1.1652   -1.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7777    1.8688   -0.0238 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0234    3.8283   -1.8718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6640   -0.4960   -0.3973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    2.3545    1.2550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1714    4.1242    0.9808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2182    2.5963   -0.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1334   -5.4020    1.5754 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392   -6.1678   -0.8254 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    1.3509    0.5032 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8326   -0.0792    0.9176 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8987   -0.9293    0.0813 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6851   -0.0266   -0.0814 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4470    1.9149   -0.5394 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1180    3.3650   -0.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5353    0.0999    0.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3809   -0.7921    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9900    1.4998    0.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3574    1.8046    0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1258    0.7859   -0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0106   -2.2012   -0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8807    3.0936    0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4247    1.0502   -0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2478   -3.1507    0.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4214   -2.5861   -1.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1802    3.3554    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9510    2.3358   -0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8962   -4.4842    0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0699   -3.9194   -1.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073   -4.8684   -0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4609    2.0102    1.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8865   -0.3427    0.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541   -1.8890    0.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2228   -0.1914   -1.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4287    1.3207   -1.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1002    3.4679   -1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2380    4.0076    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874    0.3107    2.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8638   -1.6758   -1.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3658    2.2452   -0.7008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7908    4.7536   -2.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0215    0.2528   -1.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7070   -2.8595    1.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2351   -1.8603   -2.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5951    4.3558    0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3871   -4.2052   -2.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2885    3.8267    1.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6048    1.7794   -1.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286   -6.2706    1.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4325   -6.2464   -1.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  2 19  1  0  0  0  0
  3 14  1  0  0  0  0
  3 41  1  0  0  0  0
  4 15  1  0  0  0  0
  4 42  1  0  0  0  0
  5 17  1  0  0  0  0
  5 43  1  0  0  0  0
  6 18  1  0  0  0  0
  6 44  1  0  0  0  0
  7 20  1  0  0  0  0
  7 23  1  0  0  0  0
  8 21  2  0  0  0  0
  9 25  1  0  0  0  0
  9 50  1  0  0  0  0
 10 30  1  0  0  0  0
 10 51  1  0  0  0  0
 11 31  1  0  0  0  0
 11 52  1  0  0  0  0
 12 33  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 45  1  0  0  0  0
 27 31  1  0  0  0  0
 27 46  1  0  0  0  0
 28 32  2  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 32 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-05, 1835👍, 0💬