data_UFN
#

_chem_comp.id                                   UFN
_chem_comp.name                                 "Modified form of Cinnamtannin B1 with sp3 hybridized C5'"
_chem_comp.type                                 non-polymer
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C45 H38 O18"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        Cca6
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2021-02-12
_chem_comp.pdbx_modified_date                   2021-08-13
_chem_comp.pdbx_ambiguous_flag                  N
_chem_comp.pdbx_release_status                  REL
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       866.772
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    UFN
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       7NIM
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 PDBE
#   #
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.alt_atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.charge
_chem_comp_atom.pdbx_align
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_leaving_atom_flag
_chem_comp_atom.pdbx_stereo_config
_chem_comp_atom.model_Cartn_x
_chem_comp_atom.model_Cartn_y
_chem_comp_atom.model_Cartn_z
_chem_comp_atom.pdbx_model_Cartn_x_ideal
_chem_comp_atom.pdbx_model_Cartn_y_ideal
_chem_comp_atom.pdbx_model_Cartn_z_ideal
_chem_comp_atom.pdbx_component_atom_id
_chem_comp_atom.pdbx_component_comp_id
_chem_comp_atom.pdbx_ordinal
UFN  CBX  C1   C  0  1  Y  N  N   -7.917  -13.472   -7.842  -7.288   1.266   0.231  CBX  UFN    1  
UFN  CBY  C2   C  0  1  Y  N  N   -7.431  -12.151   -7.667  -8.449   1.793  -0.312  CBY  UFN    2  
UFN  OCD  O1   O  0  1  N  N  N   -7.673  -11.311   -6.637  -9.651   1.534   0.268  OCD  UFN    3  
UFN  CBZ  C3   C  0  1  Y  N  N   -6.677  -11.468   -8.603  -8.381   2.589  -1.452  CBZ  UFN    4  
UFN  OCC  O2   O  0  1  N  N  N   -6.334  -10.188   -8.213  -9.517   3.109  -1.988  OCC  UFN    5  
UFN  CCA  C4   C  0  1  Y  N  N   -6.291  -12.082   -9.773  -7.153   2.851  -2.038  CCA  UFN    6  
UFN  CCB  C5   C  0  1  Y  N  N   -6.736  -13.425   -9.975  -5.999   2.322  -1.491  CCB  UFN    7  
UFN  CBW  C6   C  0  1  Y  N  N   -7.539  -14.147   -9.048  -6.066   1.536  -0.356  CBW  UFN    8  
UFN  CBU  C7   C  0  1  N  N  R   -7.978  -15.516   -9.336  -4.805   0.961   0.236  CBU  UFN    9  
UFN  CBT  C8   C  0  1  N  N  R   -7.207  -16.695   -8.637  -4.541  -0.394  -0.433  CBT  UFN   10  
UFN  OCK  O3   O  0  1  N  N  N   -5.756  -16.617   -8.983  -5.621  -1.291  -0.167  OCK  UFN   11  
UFN  OBP  O4   O  0  1  N  N  N   -9.388  -15.645   -8.999  -3.741   1.852  -0.049  OBP  UFN   12  
UFN  OBV  O5   O  0  1  N  N  N   -7.862  -15.754  -10.786  -5.019   0.768   1.623  OBV  UFN   13  
UFN  CBQ  C9   C  0  1  Y  N  N   -7.626  -16.975  -11.309  -4.290  -0.154   2.301  CBQ  UFN   14  
UFN  CCE  C10  C  0  1  Y  N  N   -7.373  -17.019  -12.688  -4.434  -0.234   3.683  CCE  UFN   15  
UFN  CCF  C11  C  0  1  Y  N  N   -7.112  -18.217  -13.307  -3.716  -1.173   4.405  CCF  UFN   16  
UFN  OCI  O6   O  0  1  N  N  N   -6.878  -18.186  -14.658  -3.861  -1.246   5.755  OCI  UFN   17  
UFN  CCG  C12  C  0  1  Y  N  N   -7.134  -19.401  -12.552  -2.850  -2.038   3.754  CCG  UFN   18  
UFN  CCH  C13  C  0  1  Y  N  N   -7.399  -19.349  -11.162  -2.701  -1.957   2.378  CCH  UFN   19  
UFN  OCJ  O7   O  0  1  N  N  N   -7.415  -20.469  -10.383  -1.853  -2.803   1.735  OCJ  UFN   20  
UFN  CBR  C14  C  0  1  Y  N  N   -7.660  -18.134  -10.517  -3.417  -1.012   1.658  CBR  UFN   21  
UFN  CBS  C15  C  0  1  N  N  R   -7.915  -18.019   -9.088  -3.238  -0.933   0.184  CBS  UFN   22  
UFN  CBB  C16  C  0  1  N  N  N   -9.315  -18.016   -8.764  -2.184   0.126  -0.064  CBB  UFN   23  
UFN  CBA  C17  C  0  1  N  N  N  -10.032  -16.813   -8.800  -2.470   1.399  -0.130  CBA  UFN   24  
UFN  CAZ  C18  C  0  1  N  N  N  -11.351  -16.733   -8.422  -1.361   2.409  -0.329  CAZ  UFN   25  
UFN  CAY  C19  C  0  1  N  N  S  -12.159  -17.843   -8.284  -0.115   1.958   0.429  CAY  UFN   26  
UFN  OBC  O8   O  0  1  N  N  N  -13.309  -17.770   -7.426   0.980   2.813   0.095  OBC  UFN   27  
UFN  CAT  C20  C  0  1  N  N  N  -11.413  -19.205   -8.220   0.225   0.535   0.051  CAT  UFN   28  
UFN  CAU  C21  C  0  1  N  N  N  -10.034  -19.161   -8.406  -0.775  -0.294  -0.210  CAU  UFN   29  
UFN  OAV  O9   O  0  1  N  N  N   -9.407  -20.407   -8.601  -0.522  -1.587  -0.537  OAV  UFN   30  
UFN  CAW  C22  C  0  1  N  N  R  -10.002  -21.602   -8.004   0.775  -1.913  -1.037  CAW  UFN   31  
UFN  CBG  C23  C  0  1  Y  N  N   -9.479  -22.683   -8.730   0.949  -3.410  -1.063  CBG  UFN   32  
UFN  CBH  C24  C  0  1  Y  N  N   -9.057  -23.726   -7.973   1.684  -4.002  -2.073  CBH  UFN   33  
UFN  CBI  C25  C  0  1  Y  N  N   -8.499  -24.834   -8.545   1.845  -5.378  -2.098  CBI  UFN   34  
UFN  OBM  O10  O  0  1  N  N  N   -8.097  -25.870   -7.732   2.569  -5.961  -3.091  OBM  UFN   35  
UFN  CBJ  C26  C  0  1  Y  N  N   -8.357  -24.882   -9.935   1.266  -6.161  -1.105  CBJ  UFN   36  
UFN  OBN  O11  O  0  1  N  N  N   -7.783  -25.989  -10.450   1.421  -7.512  -1.125  OBN  UFN   37  
UFN  CBK  C27  C  0  1  Y  N  N   -8.779  -23.821  -10.741   0.530  -5.562  -0.095  CBK  UFN   38  
UFN  CBL  C28  C  0  1  Y  N  N   -9.340  -22.706  -10.129   0.378  -4.188  -0.073  CBL  UFN   39  
UFN  CAX  C29  C  0  1  N  N  R  -11.530  -21.676   -7.915   1.818  -1.286  -0.102  CAX  UFN   40  
UFN  OBD  O12  O  0  1  N  N  N  -12.059  -21.706   -9.243   1.607  -1.746   1.234  OBD  UFN   41  
UFN  CAS  C30  C  0  1  N  N  R  -12.083  -20.368   -7.316   1.676   0.149  -0.074  CAS  UFN   42  
UFN  CAP  C31  C  0  1  Y  N  N  -12.262  -20.283   -5.890   2.218   0.655  -1.386  CAP  UFN   43  
UFN  CAK  C32  C  0  1  Y  N  N  -11.256  -20.044   -4.951   3.526   1.123  -1.461  CAK  UFN   44  
UFN  OAL  O13  O  0  1  N  N  N  -10.016  -19.949   -5.508   4.280   1.119  -0.331  OAL  UFN   45  
UFN  CAO  C33  C  0  1  Y  N  N  -13.580  -20.436   -5.388   1.413   0.646  -2.513  CAO  UFN   46  
UFN  OBO  O14  O  0  1  N  N  N  -14.591  -20.727   -6.288   0.138   0.182  -2.436  OBO  UFN   47  
UFN  CAN  C34  C  0  1  Y  N  N  -13.875  -20.306   -4.042   1.911   1.111  -3.722  CAN  UFN   48  
UFN  CAM  C35  C  0  1  Y  N  N  -12.839  -20.042   -3.124   3.211   1.582  -3.797  CAM  UFN   49  
UFN  OAR  O15  O  0  1  N  N  N  -13.176  -19.892   -1.785   3.699   2.038  -4.981  OAR  UFN   50  
UFN  CAJ  C36  C  0  1  Y  N  N  -11.492  -19.909   -3.547   4.022   1.584  -2.667  CAJ  UFN   51  
UFN  CAI  C37  C  0  1  N  N  N  -10.408  -19.652   -2.600   5.437   2.090  -2.793  CAI  UFN   52  
UFN  CAH  C38  C  0  1  N  N  R   -9.167  -20.140   -3.157   5.991   2.421  -1.405  CAH  UFN   53  
UFN  OAQ  O16  O  0  1  N  N  N   -9.160  -21.544   -3.163   5.358   3.600  -0.902  OAQ  UFN   54  
UFN  CAG  C39  C  0  1  N  N  R   -8.872  -19.683   -4.665   5.696   1.238  -0.474  CAG  UFN   55  
UFN  CAE  C40  C  0  1  Y  N  N   -7.697  -20.209   -5.265   6.322   1.485   0.875  CAE  UFN   56  
UFN  CAF  C41  C  0  1  Y  N  N   -7.493  -21.579   -5.411   7.563   0.950   1.167  CAF  UFN   57  
UFN  CAA  C42  C  0  1  Y  N  N   -6.298  -22.042   -5.945   8.141   1.176   2.406  CAA  UFN   58  
UFN  OBE  O17  O  0  1  N  N  N   -6.014  -23.388   -6.074   9.361   0.651   2.695  OBE  UFN   59  
UFN  CAB  C43  C  0  1  Y  N  N   -5.308  -21.200   -6.384   7.469   1.943   3.354  CAB  UFN   60  
UFN  OBF  O18  O  0  1  N  N  N   -4.199  -21.807   -6.877   8.029   2.163   4.573  OBF  UFN   61  
UFN  CAC  C44  C  0  1  Y  N  N   -5.457  -19.849   -6.264   6.226   2.476   3.054  CAC  UFN   62  
UFN  CAD  C45  C  0  1  Y  N  N   -6.640  -19.386   -5.698   5.658   2.251   1.814  CAD  UFN   63  
UFN  H1   H1   H  0  1  N  N  N   -8.543  -13.947   -7.101  -7.338   0.649   1.116  H1   UFN   64  
UFN  H2   H2   H  0  1  N  N  N   -8.191  -11.758   -5.978  -9.910   2.177   0.942  H2   UFN   65  
UFN  H3   H3   H  0  1  N  N  N   -6.724   -9.999   -7.368  -9.757   3.978  -1.636  H3   UFN   66  
UFN  H4   H4   H  0  1  N  N  N   -5.681  -11.573  -10.504  -7.098   3.468  -2.923  H4   UFN   67  
UFN  H5   H5   H  0  1  N  N  N   -6.445  -13.923  -10.888  -5.043   2.527  -1.949  H5   UFN   68  
UFN  H6   H6   H  0  1  N  N  N   -7.328  -16.590   -7.549  -4.420  -0.263  -1.509  H6   UFN   69  
UFN  H7   H7   H  0  1  N  N  N   -5.291  -17.329   -8.561  -6.479  -0.981  -0.490  H7   UFN   70  
UFN  H8   H8   H  0  1  N  N  N   -7.383  -16.107  -13.266  -5.108   0.438   4.194  H8   UFN   71  
UFN  H9   H9   H  0  1  N  N  N   -6.711  -19.067  -14.971  -4.560  -1.848   6.043  H9   UFN   72  
UFN  H10  H10  H  0  1  N  N  N   -6.949  -20.351  -13.031  -2.293  -2.773   4.317  H10  UFN   73  
UFN  H11  H11  H  0  1  N  N  N   -7.610  -20.228   -9.485  -2.267  -3.627   1.443  H11  UFN   74  
UFN  H12  H12  H  0  1  N  N  N   -7.423  -18.854   -8.567  -2.947  -1.895  -0.237  H12  UFN   75  
UFN  H13  H13  H  0  1  N  N  N  -11.357  -16.230   -7.444  -1.130   2.489  -1.391  H13  UFN   76  
UFN  H14  H14  H  0  1  N  N  N  -13.763  -18.604   -7.433   0.833   3.744   0.314  H14  UFN   77  
UFN  H15  H15  H  0  1  N  N  N   -9.627  -21.672   -6.972   0.894  -1.511  -2.043  H15  UFN   78  
UFN  H16  H16  H  0  1  N  N  N   -9.164  -23.680   -6.899   2.133  -3.391  -2.843  H16  UFN   79  
UFN  H17  H17  H  0  1  N  N  N   -8.276  -25.649   -6.825   3.510  -6.053  -2.890  H17  UFN   80  
UFN  H18  H18  H  0  1  N  N  N   -7.568  -26.591   -9.747   2.199  -7.826  -0.642  H18  UFN   81  
UFN  H19  H19  H  0  1  N  N  N   -8.672  -23.866  -11.815   0.083  -6.167   0.680  H19  UFN   82  
UFN  H20  H20  H  0  1  N  N  N   -9.666  -21.865  -10.723  -0.195  -3.722   0.715  H20  UFN   83  
UFN  H21  H21  H  0  1  N  N  N  -11.846  -22.543   -7.317   2.820  -1.559  -0.433  H21  UFN   84  
UFN  H22  H22  H  0  1  N  N  N  -13.007  -21.752   -9.206   1.677  -2.705   1.336  H22  UFN   85  
UFN  H23  H23  H  0  1  N  N  N  -13.117  -20.365   -7.692   2.242   0.593   0.745  H23  UFN   86  
UFN  H24  H24  H  0  1  N  N  N  -15.417  -20.803   -5.824  -0.525   0.874  -2.306  H24  UFN   87  
UFN  H25  H25  H  0  1  N  N  N  -14.894  -20.406   -3.697   1.285   1.107  -4.602  H25  UFN   88  
UFN  H26  H26  H  0  1  N  N  N  -12.391  -19.719   -1.278   3.557   2.983  -5.126  H26  UFN   89  
UFN  H27  H27  H  0  1  N  N  N  -10.329  -18.570   -2.416   6.057   1.323  -3.257  H27  UFN   90  
UFN  H28  H28  H  0  1  N  N  N  -10.616  -20.171   -1.653   5.448   2.988  -3.410  H28  UFN   91  
UFN  H29  H29  H  0  1  N  N  N   -8.332  -19.773   -2.542   7.068   2.580  -1.467  H29  UFN   92  
UFN  H30  H30  H  0  1  N  N  N   -9.331  -21.866   -2.286   5.490   4.383  -1.454  H30  UFN   93  
UFN  H31  H31  H  0  1  N  N  N   -8.754  -18.590   -4.619   6.100   0.322  -0.904  H31  UFN   94  
UFN  H32  H32  H  0  1  N  N  N   -8.260  -22.277   -5.110   8.082   0.355   0.430  H32  UFN   95  
UFN  H33  H33  H  0  1  N  N  N   -6.746  -23.899   -5.749  10.102   1.228   2.465  H33  UFN   96  
UFN  H34  H34  H  0  1  N  N  N   -4.321  -22.749   -6.865   7.803   1.497   5.236  H34  UFN   97  
UFN  H35  H35  H  0  1  N  N  N   -4.688  -19.167   -6.595   5.703   3.071   3.788  H35  UFN   98  
UFN  H36  H36  H  0  1  N  N  N   -6.756  -18.319   -5.582   4.689   2.667   1.582  H36  UFN   99  
UFN  H37  H37  H  0  1  N  N  N  -11.842  -16.091   -9.168  -1.683   3.380   0.047  H37  UFN  100  
UFN  H38  H38  H  0  1  N  N  N  -12.627  -17.912   -9.277  -0.304   2.013   1.501  H38  UFN  101  
#   #
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_ordinal
UFN  OCI  CCF  SING  N  N    1  
UFN  CCF  CCE  DOUB  Y  N    2  
UFN  CCF  CCG  SING  Y  N    3  
UFN  CCE  CBQ  SING  Y  N    4  
UFN  CCG  CCH  DOUB  Y  N    5  
UFN  CBQ  OBV  SING  N  N    6  
UFN  CBQ  CBR  DOUB  Y  N    7  
UFN  CCH  CBR  SING  Y  N    8  
UFN  CCH  OCJ  SING  N  N    9  
UFN  OBV  CBU  SING  N  N   10  
UFN  CBK  CBL  DOUB  Y  N   11  
UFN  CBK  CBJ  SING  Y  N   12  
UFN  CBR  CBS  SING  N  N   13  
UFN  OBN  CBJ  SING  N  N   14  
UFN  CBL  CBG  SING  Y  N   15  
UFN  CCB  CCA  DOUB  Y  N   16  
UFN  CCB  CBW  SING  Y  N   17  
UFN  CBJ  CBI  DOUB  Y  N   18  
UFN  CCA  CBZ  SING  Y  N   19  
UFN  CBU  CBW  SING  N  N   20  
UFN  CBU  OBP  SING  N  N   21  
UFN  CBU  CBT  SING  N  N   22  
UFN  OBD  CAX  SING  N  N   23  
UFN  CBS  CBB  SING  N  N   24  
UFN  CBS  CBT  SING  N  N   25  
UFN  CBW  CBX  DOUB  Y  N   26  
UFN  OBP  CBA  SING  N  N   27  
UFN  OCK  CBT  SING  N  N   28  
UFN  CBA  CBB  DOUB  N  N   29  
UFN  CBA  CAZ  SING  N  N   30  
UFN  CBB  CAU  SING  N  N   31  
UFN  CBG  CAW  SING  N  N   32  
UFN  CBG  CBH  DOUB  Y  N   33  
UFN  CBZ  OCC  SING  N  N   34  
UFN  CBZ  CBY  DOUB  Y  N   35  
UFN  OAV  CAU  SING  N  N   36  
UFN  OAV  CAW  SING  N  N   37  
UFN  CBI  CBH  SING  Y  N   38  
UFN  CBI  OBM  SING  N  N   39  
UFN  CAZ  CAY  SING  N  N   40  
UFN  CAU  CAT  DOUB  N  N   41  
UFN  CAY  CAT  SING  N  N   42  
UFN  CAY  OBC  SING  N  N   43  
UFN  CAT  CAS  SING  N  N   44  
UFN  CAW  CAX  SING  N  N   45  
UFN  CAX  CAS  SING  N  N   46  
UFN  CBX  CBY  SING  Y  N   47  
UFN  CBY  OCD  SING  N  N   48  
UFN  CAS  CAP  SING  N  N   49  
UFN  OBF  CAB  SING  N  N   50  
UFN  CAB  CAC  DOUB  Y  N   51  
UFN  CAB  CAA  SING  Y  N   52  
UFN  OBO  CAO  SING  N  N   53  
UFN  CAC  CAD  SING  Y  N   54  
UFN  OBE  CAA  SING  N  N   55  
UFN  CAA  CAF  DOUB  Y  N   56  
UFN  CAP  CAO  DOUB  Y  N   57  
UFN  CAP  CAK  SING  Y  N   58  
UFN  CAD  CAE  DOUB  Y  N   59  
UFN  OAL  CAK  SING  N  N   60  
UFN  OAL  CAG  SING  N  N   61  
UFN  CAF  CAE  SING  Y  N   62  
UFN  CAO  CAN  SING  Y  N   63  
UFN  CAE  CAG  SING  N  N   64  
UFN  CAK  CAJ  DOUB  Y  N   65  
UFN  CAG  CAH  SING  N  N   66  
UFN  CAN  CAM  DOUB  Y  N   67  
UFN  CAJ  CAM  SING  Y  N   68  
UFN  CAJ  CAI  SING  N  N   69  
UFN  OAQ  CAH  SING  N  N   70  
UFN  CAH  CAI  SING  N  N   71  
UFN  CAM  OAR  SING  N  N   72  
UFN  CBX  H1   SING  N  N   73  
UFN  OCD  H2   SING  N  N   74  
UFN  OCC  H3   SING  N  N   75  
UFN  CCA  H4   SING  N  N   76  
UFN  CCB  H5   SING  N  N   77  
UFN  CBT  H6   SING  N  N   78  
UFN  OCK  H7   SING  N  N   79  
UFN  CCE  H8   SING  N  N   80  
UFN  OCI  H9   SING  N  N   81  
UFN  CCG  H10  SING  N  N   82  
UFN  OCJ  H11  SING  N  N   83  
UFN  CBS  H12  SING  N  N   84  
UFN  CAZ  H13  SING  N  N   85  
UFN  OBC  H14  SING  N  N   86  
UFN  CAW  H15  SING  N  N   87  
UFN  CBH  H16  SING  N  N   88  
UFN  OBM  H17  SING  N  N   89  
UFN  OBN  H18  SING  N  N   90  
UFN  CBK  H19  SING  N  N   91  
UFN  CBL  H20  SING  N  N   92  
UFN  CAX  H21  SING  N  N   93  
UFN  OBD  H22  SING  N  N   94  
UFN  CAS  H23  SING  N  N   95  
UFN  OBO  H24  SING  N  N   96  
UFN  CAN  H25  SING  N  N   97  
UFN  OAR  H26  SING  N  N   98  
UFN  CAI  H27  SING  N  N   99  
UFN  CAI  H28  SING  N  N  100  
UFN  CAH  H29  SING  N  N  101  
UFN  OAQ  H30  SING  N  N  102  
UFN  CAG  H31  SING  N  N  103  
UFN  CAF  H32  SING  N  N  104  
UFN  OBE  H33  SING  N  N  105  
UFN  OBF  H34  SING  N  N  106  
UFN  CAC  H35  SING  N  N  107  
UFN  CAD  H36  SING  N  N  108  
UFN  CAZ  H37  SING  N  N  109  
UFN  CAY  H38  SING  N  N  110  
#   #
loop_
_pdbx_chem_comp_descriptor.comp_id
_pdbx_chem_comp_descriptor.type
_pdbx_chem_comp_descriptor.program
_pdbx_chem_comp_descriptor.program_version
_pdbx_chem_comp_descriptor.descriptor
UFN  InChI             InChI                 1.03   "InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13,29-30,37-41,44,46-59H,12,14H2/t29-,30+,37-,38+,39+,40+,41+,44+,45-/m0/s1"  
UFN  InChIKey          InChI                 1.03   GTLDPRJUMQNNPF-PUHQMIONSA-N  
UFN  SMILES_CANONICAL  CACTVS                3.385  "O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](OC4=C3[C@@H](O)CC5=C4[C@@H]6[C@@H](O)[C@](O5)(Oc7cc(O)cc(O)c67)c8ccc(O)c(O)c8)c9ccc(O)c(O)c9)c2O[C@@H]1c%10ccc(O)c(O)c%10"  
UFN  SMILES            CACTVS                3.385  "O[CH]1Cc2c(O)cc(O)c([CH]3[CH](O)[CH](OC4=C3[CH](O)CC5=C4[CH]6[CH](O)[C](O5)(Oc7cc(O)cc(O)c67)c8ccc(O)c(O)c8)c9ccc(O)c(O)c9)c2O[CH]1c%10ccc(O)c(O)c%10"  
UFN  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@@H]4[C@H]([C@H](OC5=C4[C@H](CC6=C5[C@H]7c8c(cc(cc8O[C@]([C@@H]7O)(O6)c9ccc(c(c9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O"  
UFN  SMILES            "OpenEye OEToolkits"  2.0.7  "c1cc(c(cc1C2C(Cc3c(cc(c(c3O2)C4C(C(OC5=C4C(CC6=C5C7c8c(cc(cc8OC(C7O)(O6)c9ccc(c(c9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O"  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     UFN
_pdbx_chem_comp_synonyms.name        Cca6
_pdbx_chem_comp_synonyms.provenance  AUTHOR
_pdbx_chem_comp_synonyms.type        ?
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
UFN  "Create component"     2021-02-12  PDBE  
UFN  "Modify linking type"  2021-03-02  PDBE  
UFN  "Initial release"      2021-08-18  RCSB  
##
