data_KUJ
#

_chem_comp.id                                   KUJ
_chem_comp.name                                 "(3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C35 H54 O8"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2019-01-16
_chem_comp.pdbx_modified_date                   2019-10-18
_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                       602.798
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    KUJ
_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       6NNW
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 RCSB
#   #
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
KUJ  C01  C1   C  0  1  N  N  N  -40.500   2.141  41.194  -1.378  -1.082  -0.576  C01  KUJ   1  
KUJ  C02  C2   C  0  1  N  N  N  -40.503   0.621  40.985  -2.096  -0.599   0.657  C02  KUJ   2  
KUJ  C03  C3   C  0  1  N  N  N  -41.373  -0.217  41.639  -1.424  -0.365   1.757  C03  KUJ   3  
KUJ  C04  C4   C  0  1  N  N  R  -42.382   0.284  42.686   0.036  -0.726   1.839  C04  KUJ   4  
KUJ  C05  C5   C  0  1  N  N  N  -41.933  -0.236  44.017   0.264  -1.665   3.026  C05  KUJ   5  
KUJ  C06  C6   C  0  1  N  N  N  -43.714  -0.346  42.257   0.866   0.546   2.029  C06  KUJ   6  
KUJ  C07  C7   C  0  1  N  N  N  -44.171   0.301  40.882   2.354   0.195   1.987  C07  KUJ   7  
KUJ  C08  C8   C  0  1  N  N  S  -45.648  -0.126  40.710   3.184   1.466   2.176  C08  KUJ   8  
KUJ  C09  C9   C  0  1  N  N  N  -46.435   0.755  39.731   4.645   1.106   2.258  C09  KUJ   9  
KUJ  C10  C10  C  0  1  N  N  N  -47.361   0.179  38.874   5.504   1.667   1.445  C10  KUJ  10  
KUJ  C11  C11  C  0  1  N  N  S  -48.181   1.023  37.891   6.965   1.307   1.526  C11  KUJ  11  
KUJ  C12  C12  C  0  1  N  N  N  -49.513   0.291  37.783   7.784   2.561   1.840  C12  KUJ  12  
KUJ  C13  C13  C  0  1  N  N  R  -47.535   1.091  36.488   7.422   0.721   0.189  C13  KUJ  13  
KUJ  C14  C14  C  0  1  N  N  R  -46.206   2.273  35.086   7.522  -1.240  -1.039  C14  KUJ  14  
KUJ  C15  C15  C  0  1  N  N  S  -45.100   1.671  34.346   7.062  -0.919  -2.463  C15  KUJ  15  
KUJ  C16  C16  C  0  1  N  N  N  -44.559  -0.554  35.149   8.039  -0.953  -4.652  C16  KUJ  16  
KUJ  C17  C17  C  0  1  N  N  N  -44.987   2.321  32.938   5.605  -1.352  -2.638  C17  KUJ  17  
KUJ  C18  C18  C  0  1  N  N  N  -47.583   2.141  34.428   8.987  -0.791  -0.845  C18  KUJ  18  
KUJ  C19  C19  C  0  1  N  N  S  -48.408   1.941  35.420   8.909   0.290   0.261  C19  KUJ  19  
KUJ  C20  C20  C  0  1  N  N  N  -48.874   3.324  36.090   9.239  -0.306   1.631  C20  KUJ  20  
KUJ  C21  C21  C  0  1  N  N  S  -39.474   0.088  39.942  -3.587  -0.383   0.624  C21  KUJ  21  
KUJ  C22  C22  C  0  1  N  N  S  -38.093   0.337  40.589  -4.294  -1.724   0.406  C22  KUJ  22  
KUJ  C23  C23  C  0  1  N  N  N  -37.815  -0.650  41.747  -3.989  -2.659   1.577  C23  KUJ  23  
KUJ  C24  C24  C  0  1  N  N  N  -36.392  -0.529  42.310  -4.697  -3.998   1.357  C24  KUJ  24  
KUJ  C25  C25  C  0  1  N  N  N  -35.398  -0.760  41.155  -6.207  -3.769   1.267  C25  KUJ  25  
KUJ  C26  C26  C  0  1  N  N  R  -35.603   0.291  40.056  -6.512  -2.829   0.099  C26  KUJ  26  
KUJ  C27  C27  C  0  1  N  N  N  -34.532   0.080  38.965  -8.023  -2.600   0.010  C27  KUJ  27  
KUJ  C28  C28  C  0  1  N  N  S  -37.022   0.142  39.487  -5.806  -1.491   0.323  C28  KUJ  28  
KUJ  C29  C29  C  0  1  N  N  S  -37.360   1.002  38.246  -6.100  -0.555  -0.855  C29  KUJ  29  
KUJ  C30  C30  C  0  1  N  N  N  -37.191   2.511  38.492  -5.764  -1.260  -2.170  C30  KUJ  30  
KUJ  C31  C31  C  0  1  N  N  N  -38.800   0.785  37.772  -5.242   0.682  -0.705  C31  KUJ  31  
KUJ  C32  C32  C  0  1  N  N  N  -39.264   0.121  36.688  -5.791   1.943  -0.808  C32  KUJ  32  
KUJ  C33  C33  C  0  1  N  N  N  -40.580  -0.288  36.575  -5.075   3.218  -0.684  C33  KUJ  33  
KUJ  C34  C34  C  0  1  N  N  N  -40.687  -0.997  35.232  -6.133   4.283  -0.876  C34  KUJ  34  
KUJ  C35  C35  C  0  1  N  N  N  -38.606  -0.275  35.563  -7.201   2.262  -1.067  C35  KUJ  35  
KUJ  O01  O1   O  0  1  N  N  N  -41.371   2.743  40.256  -1.709  -0.241  -1.682  O01  KUJ  36  
KUJ  O02  O2   O  0  1  N  N  N  -46.378   1.642  36.472   6.724  -0.511  -0.092  O02  KUJ  37  
KUJ  O03  O3   O  0  1  N  N  N  -45.251   0.246  34.226   7.883  -1.621  -3.398  O03  KUJ  38  
KUJ  O04  O4   O  0  1  N  N  N  -45.652  -1.449  40.311   2.971   2.343   1.068  O04  KUJ  39  
KUJ  O05  O5   O  0  1  N  N  N  -39.667   0.872  38.804  -3.925   0.517  -0.468  O05  KUJ  40  
KUJ  O06  O6   O  0  1  N  N  N  -41.564  -0.191  37.291  -3.892   3.383  -0.472  O06  KUJ  41  
KUJ  O07  O7   O  0  1  N  N  N  -39.397  -0.943  34.658  -7.388   3.589  -1.099  O07  KUJ  42  
KUJ  O08  O8   O  0  1  N  N  N  -37.431  -0.094  35.296  -8.078   1.436  -1.228  O08  KUJ  43  
KUJ  H1   H1   H  0  1  N  N  N  -39.481   2.530  41.051  -0.301  -1.051  -0.405  H1   KUJ  44  
KUJ  H2   H2   H  0  1  N  N  N  -40.841   2.372  42.214  -1.681  -2.106  -0.795  H2   KUJ  45  
KUJ  H3   H3   H  0  1  N  N  N  -41.347  -1.272  41.408  -1.918   0.085   2.606  H3   KUJ  46  
KUJ  H4   H4   H  0  1  N  N  N  -42.444   1.382  42.680   0.340  -1.224   0.918  H4   KUJ  47  
KUJ  H5   H5   H  0  1  N  N  N  -42.631   0.101  44.797  -0.039  -1.167   3.947  H5   KUJ  48  
KUJ  H6   H6   H  0  1  N  N  N  -41.913  -1.336  43.993  -0.326  -2.571   2.891  H6   KUJ  49  
KUJ  H7   H7   H  0  1  N  N  N  -40.925   0.144  44.238   1.321  -1.926   3.085  H7   KUJ  50  
KUJ  H8   H8   H  0  1  N  N  N  -44.477  -0.155  43.026   0.636   1.251   1.230  H8   KUJ  51  
KUJ  H9   H9   H  0  1  N  N  N  -43.585  -1.431  42.129   0.626   0.996   2.992  H9   KUJ  52  
KUJ  H10  H10  H  0  1  N  N  N  -43.559  -0.082  40.052   2.584  -0.511   2.785  H10  KUJ  53  
KUJ  H11  H11  H  0  1  N  N  N  -44.088   1.397  40.924   2.595  -0.256   1.024  H11  KUJ  54  
KUJ  H12  H12  H  0  1  N  N  N  -46.131  -0.039  41.694   2.880   1.964   3.097  H12  KUJ  55  
KUJ  H13  H13  H  0  1  N  N  N  -46.268   1.822  39.709   4.983   0.385   2.988  H13  KUJ  56  
KUJ  H14  H14  H  0  1  N  N  N  -47.508  -0.891  38.900   5.166   2.388   0.715  H14  KUJ  57  
KUJ  H15  H15  H  0  1  N  N  N  -48.330   2.037  38.290   7.114   0.569   2.315  H15  KUJ  58  
KUJ  H16  H16  H  0  1  N  N  N  -49.983   0.236  38.776   8.840   2.300   1.899  H16  KUJ  59  
KUJ  H17  H17  H  0  1  N  N  N  -50.175   0.835  37.093   7.635   3.298   1.051  H17  KUJ  60  
KUJ  H18  H18  H  0  1  N  N  N  -49.342  -0.726  37.401   7.458   2.978   2.793  H18  KUJ  61  
KUJ  H19  H19  H  0  1  N  N  N  -47.486   0.062  36.101   7.269   1.441  -0.616  H19  KUJ  62  
KUJ  H20  H20  H  0  1  N  N  N  -45.999   3.344  35.225   7.433  -2.310  -0.854  H20  KUJ  63  
KUJ  H21  H21  H  0  1  N  N  N  -44.164   1.885  34.882   7.146   0.154  -2.639  H21  KUJ  64  
KUJ  H22  H22  H  0  1  N  N  N  -44.764  -1.615  34.942   8.498   0.022  -4.489  H22  KUJ  65  
KUJ  H23  H23  H  0  1  N  N  N  -43.479  -0.365  35.060   8.675  -1.549  -5.305  H23  KUJ  66  
KUJ  H24  H24  H  0  1  N  N  N  -44.892  -0.309  36.168   7.062  -0.821  -5.117  H24  KUJ  67  
KUJ  H25  H25  H  0  1  N  N  N  -44.872   3.410  33.044   5.521  -2.424  -2.462  H25  KUJ  68  
KUJ  H26  H26  H  0  1  N  N  N  -44.112   1.910  32.414   4.979  -0.816  -1.924  H26  KUJ  69  
KUJ  H27  H27  H  0  1  N  N  N  -45.897   2.103  32.360   5.278  -1.123  -3.652  H27  KUJ  70  
KUJ  H28  H28  H  0  1  N  N  N  -47.844   3.062  33.887   9.603  -1.628  -0.517  H28  KUJ  71  
KUJ  H29  H29  H  0  1  N  N  N  -47.600   1.289  33.732   9.381  -0.365  -1.768  H29  KUJ  72  
KUJ  H30  H30  H  0  1  N  N  N  -49.299   1.358  35.143   9.568   1.128   0.033  H30  KUJ  73  
KUJ  H31  H31  H  0  1  N  N  N  -49.566   3.115  36.919  10.257  -0.695   1.622  H31  KUJ  74  
KUJ  H32  H32  H  0  1  N  N  N  -47.994   3.860  36.474   9.152   0.468   2.394  H32  KUJ  75  
KUJ  H33  H33  H  0  1  N  N  N  -49.381   3.944  35.336   8.543  -1.115   1.852  H33  KUJ  76  
KUJ  H34  H34  H  0  1  N  N  N  -39.631  -0.985  39.758  -3.913   0.051   1.569  H34  KUJ  77  
KUJ  H35  H35  H  0  1  N  N  N  -38.046   1.369  40.967  -3.941  -2.174  -0.521  H35  KUJ  78  
KUJ  H36  H36  H  0  1  N  N  N  -38.531  -0.450  42.558  -2.913  -2.824   1.641  H36  KUJ  79  
KUJ  H37  H37  H  0  1  N  N  N  -37.959  -1.675  41.376  -4.343  -2.209   2.504  H37  KUJ  80  
KUJ  H38  H38  H  0  1  N  N  N  -36.236  -1.285  43.093  -4.342  -4.448   0.430  H38  KUJ  81  
KUJ  H39  H39  H  0  1  N  N  N  -36.243   0.475  42.735  -4.480  -4.665   2.191  H39  KUJ  82  
KUJ  H40  H40  H  0  1  N  N  N  -35.560  -1.763  40.733  -6.710  -4.722   1.108  H40  KUJ  83  
KUJ  H41  H41  H  0  1  N  N  N  -34.370  -0.686  41.541  -6.562  -3.321   2.195  H41  KUJ  84  
KUJ  H42  H42  H  0  1  N  N  N  -35.488   1.296  40.487  -6.157  -3.276  -0.830  H42  KUJ  85  
KUJ  H43  H43  H  0  1  N  N  N  -33.531   0.194  39.406  -8.377  -2.152   0.938  H43  KUJ  86  
KUJ  H44  H44  H  0  1  N  N  N  -34.634  -0.930  38.542  -8.240  -1.931  -0.823  H44  KUJ  87  
KUJ  H45  H45  H  0  1  N  N  N  -34.668   0.826  38.168  -8.526  -3.554  -0.150  H45  KUJ  88  
KUJ  H46  H46  H  0  1  N  N  N  -37.111  -0.905  39.162  -6.158  -1.043   1.253  H46  KUJ  89  
KUJ  H47  H47  H  0  1  N  N  N  -36.681   0.709  37.432  -7.154  -0.274  -0.847  H47  KUJ  90  
KUJ  H48  H48  H  0  1  N  N  N  -36.166   2.714  38.836  -6.370  -2.161  -2.265  H48  KUJ  91  
KUJ  H49  H49  H  0  1  N  N  N  -37.379   3.058  37.557  -5.975  -0.591  -3.005  H49  KUJ  92  
KUJ  H50  H50  H  0  1  N  N  N  -37.907   2.840  39.260  -4.708  -1.530  -2.178  H50  KUJ  93  
KUJ  H53  H53  H  0  1  N  N  N  -41.414  -0.484  34.586  -6.203   4.904   0.016  H53  KUJ  94  
KUJ  H54  H54  H  0  1  N  N  N  -40.998  -2.042  35.376  -5.888   4.899  -1.741  H54  KUJ  95  
KUJ  H55  H55  H  0  1  N  N  N  -41.372   3.685  40.383  -1.281  -0.494  -2.511  H55  KUJ  96  
KUJ  H56  H56  H  0  1  N  N  N  -45.159  -1.970  40.934   3.220   1.965   0.214  H56  KUJ  97  
#   #
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
KUJ  C17  C15  SING  N  N    1  
KUJ  O03  C15  SING  N  N    2  
KUJ  O03  C16  SING  N  N    3  
KUJ  C15  C14  SING  N  N    4  
KUJ  C18  C14  SING  N  N    5  
KUJ  C18  C19  SING  N  N    6  
KUJ  O07  C34  SING  N  N    7  
KUJ  O07  C35  SING  N  N    8  
KUJ  C14  O02  SING  N  N    9  
KUJ  C34  C33  SING  N  N   10  
KUJ  O08  C35  DOUB  N  N   11  
KUJ  C19  C20  SING  N  N   12  
KUJ  C19  C13  SING  N  N   13  
KUJ  C35  C32  SING  N  N   14  
KUJ  O02  C13  SING  N  N   15  
KUJ  C13  C11  SING  N  N   16  
KUJ  C33  C32  SING  N  N   17  
KUJ  C33  O06  DOUB  N  N   18  
KUJ  C32  C31  DOUB  N  E   19  
KUJ  C31  C29  SING  N  N   20  
KUJ  C31  O05  SING  N  N   21  
KUJ  C12  C11  SING  N  N   22  
KUJ  C11  C10  SING  N  N   23  
KUJ  C29  C30  SING  N  N   24  
KUJ  C29  C28  SING  N  N   25  
KUJ  O05  C21  SING  N  N   26  
KUJ  C10  C09  DOUB  N  E   27  
KUJ  C27  C26  SING  N  N   28  
KUJ  C28  C26  SING  N  N   29  
KUJ  C28  C22  SING  N  N   30  
KUJ  C09  C08  SING  N  N   31  
KUJ  C21  C22  SING  N  N   32  
KUJ  C21  C02  SING  N  N   33  
KUJ  C26  C25  SING  N  N   34  
KUJ  O01  C01  SING  N  N   35  
KUJ  O04  C08  SING  N  N   36  
KUJ  C22  C23  SING  N  N   37  
KUJ  C08  C07  SING  N  N   38  
KUJ  C07  C06  SING  N  N   39  
KUJ  C02  C01  SING  N  N   40  
KUJ  C02  C03  DOUB  N  E   41  
KUJ  C25  C24  SING  N  N   42  
KUJ  C03  C04  SING  N  N   43  
KUJ  C23  C24  SING  N  N   44  
KUJ  C06  C04  SING  N  N   45  
KUJ  C04  C05  SING  N  N   46  
KUJ  C01  H1   SING  N  N   47  
KUJ  C01  H2   SING  N  N   48  
KUJ  C03  H3   SING  N  N   49  
KUJ  C04  H4   SING  N  N   50  
KUJ  C05  H5   SING  N  N   51  
KUJ  C05  H6   SING  N  N   52  
KUJ  C05  H7   SING  N  N   53  
KUJ  C06  H8   SING  N  N   54  
KUJ  C06  H9   SING  N  N   55  
KUJ  C07  H10  SING  N  N   56  
KUJ  C07  H11  SING  N  N   57  
KUJ  C08  H12  SING  N  N   58  
KUJ  C09  H13  SING  N  N   59  
KUJ  C10  H14  SING  N  N   60  
KUJ  C11  H15  SING  N  N   61  
KUJ  C12  H16  SING  N  N   62  
KUJ  C12  H17  SING  N  N   63  
KUJ  C12  H18  SING  N  N   64  
KUJ  C13  H19  SING  N  N   65  
KUJ  C14  H20  SING  N  N   66  
KUJ  C15  H21  SING  N  N   67  
KUJ  C16  H22  SING  N  N   68  
KUJ  C16  H23  SING  N  N   69  
KUJ  C16  H24  SING  N  N   70  
KUJ  C17  H25  SING  N  N   71  
KUJ  C17  H26  SING  N  N   72  
KUJ  C17  H27  SING  N  N   73  
KUJ  C18  H28  SING  N  N   74  
KUJ  C18  H29  SING  N  N   75  
KUJ  C19  H30  SING  N  N   76  
KUJ  C20  H31  SING  N  N   77  
KUJ  C20  H32  SING  N  N   78  
KUJ  C20  H33  SING  N  N   79  
KUJ  C21  H34  SING  N  N   80  
KUJ  C22  H35  SING  N  N   81  
KUJ  C23  H36  SING  N  N   82  
KUJ  C23  H37  SING  N  N   83  
KUJ  C24  H38  SING  N  N   84  
KUJ  C24  H39  SING  N  N   85  
KUJ  C25  H40  SING  N  N   86  
KUJ  C25  H41  SING  N  N   87  
KUJ  C26  H42  SING  N  N   88  
KUJ  C27  H43  SING  N  N   89  
KUJ  C27  H44  SING  N  N   90  
KUJ  C27  H45  SING  N  N   91  
KUJ  C28  H46  SING  N  N   92  
KUJ  C29  H47  SING  N  N   93  
KUJ  C30  H48  SING  N  N   94  
KUJ  C30  H49  SING  N  N   95  
KUJ  C30  H50  SING  N  N   96  
KUJ  C34  H53  SING  N  N   97  
KUJ  C34  H54  SING  N  N   98  
KUJ  O01  H55  SING  N  N   99  
KUJ  O04  H56  SING  N  N  100  
#   #
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
KUJ  SMILES            ACDLabs               12.01  "C(\C(=C/C(C)CCC([C@H]=[C@H]C(C)C1C(CC(O1)C(C)OC)C)O)C3C2CCCC(C)C2C(C)/C(O3)=C4/C(=O)COC4=O)O"  
KUJ  InChI             InChI                 1.03   "InChI=1S/C35H54O8/c1-19(11-13-26(37)14-12-21(3)32-22(4)16-29(42-32)24(6)40-7)15-25(17-36)34-27-10-8-9-20(2)30(27)23(5)33(43-34)31-28(38)18-41-35(31)39/h12,14-15,19-24,26-27,29-30,32,34,36-37H,8-11,13,16-18H2,1-7H3/b14-12+,25-15+,33-31+/t19-,20-,21+,22+,23+,24+,26+,27+,29-,30-,32+,34-/m1/s1"  
KUJ  InChIKey          InChI                 1.03   RLWRBBXSBCBSGG-HASGRZBRSA-N  
KUJ  SMILES_CANONICAL  CACTVS                3.385  "CO[C@@H](C)[C@H]1C[C@H](C)[C@@H](O1)[C@@H](C)\C=C\[C@@H](O)CC[C@@H](C)\C=C(/CO)[C@H]2OC(\[C@@H](C)[C@H]3[C@H](C)CCC[C@H]23)=C4/C(=O)COC4=O"  
KUJ  SMILES            CACTVS                3.385  "CO[CH](C)[CH]1C[CH](C)[CH](O1)[CH](C)C=C[CH](O)CC[CH](C)C=C(CO)[CH]2OC([CH](C)[CH]3[CH](C)CCC[CH]23)=C4C(=O)COC4=O"  
KUJ  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "C[C@@H]1CCC[C@H]2[C@H]1[C@@H](/C(=C\3/C(=O)COC3=O)/O[C@@H]2/C(=C/[C@H](C)CC[C@@H](/C=C/[C@H](C)[C@H]4[C@H](C[C@@H](O4)[C@H](C)OC)C)O)/CO)C"  
KUJ  SMILES            "OpenEye OEToolkits"  2.0.7  "CC1CCCC2C1C(C(=C3C(=O)COC3=O)OC2C(=CC(C)CCC(C=CC(C)C4C(CC(O4)C(C)OC)C)O)CO)C"  
#   #
loop_
_pdbx_chem_comp_identifier.comp_id
_pdbx_chem_comp_identifier.type
_pdbx_chem_comp_identifier.program
_pdbx_chem_comp_identifier.program_version
_pdbx_chem_comp_identifier.identifier
KUJ  "SYSTEMATIC NAME"  ACDLabs               12.01  "(3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione"  
KUJ  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  2.0.7  "(3~{E})-3-[(1~{S},4~{S},4~{a}~{S},5~{R},8~{a}~{S})-1-[(2~{E},4~{R},7~{S},8~{E},10~{S})-10-[(2~{R},3~{S},5~{R})-5-[(1~{S})-1-methoxyethyl]-3-methyl-oxolan-2-yl]-4-methyl-1,7-bis(oxidanyl)undeca-2,8-dien-2-yl]-4,5-dimethyl-1,4,4~{a},5,6,7,8,8~{a}-octahydroisochromen-3-ylidene]oxolane-2,4-dione"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
KUJ  "Create component"    2019-01-16  RCSB  
KUJ  "Other modification"  2019-02-19  RCSB  
KUJ  "Initial release"     2019-10-23  RCSB  
##
