data_CRT
#

_chem_comp.id                                   CRT
_chem_comp.name                                 SPIRILLOXANTHIN
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C42 H60 O2"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        RHODOVIOLASCIN
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    1999-07-08
_chem_comp.pdbx_modified_date                   2020-06-17
_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                       596.925
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    CRT
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       ?
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       1EYS
_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
CRT  C1M   C1M   C  0  1  N  N  N   -0.813  -2.328  48.165  -2.369  -0.870   16.746  C1M   CRT    1  
CRT  O1    O1    O  0  1  N  N  N   -0.045  -1.378  48.881  -2.534   0.086   15.697  O1    CRT    2  
CRT  C1    C1    C  0  1  N  N  N    1.100  -1.874  49.616  -3.539  -0.429   14.822  C1    CRT    3  
CRT  C2    C2    C  0  1  N  N  N    2.146  -2.531  48.704  -3.077  -1.770   14.249  C2    CRT    4  
CRT  C3    C3    C  0  1  N  N  N    0.687  -2.883  50.692  -4.840  -0.629   15.602  C3    CRT    5  
CRT  C4    C4    C  0  1  N  N  N    1.699  -0.600  50.309  -3.776   0.559   13.679  C4    CRT    6  
CRT  C5    C5    C  0  1  N  N  N    2.257   0.479  49.371  -2.495   0.755   12.911  C5    CRT    7  
CRT  C6    C6    C  0  1  N  N  N    1.411   1.760  49.435  -2.442   0.453   11.610  C6    CRT    8  
CRT  C7    C7    C  0  1  N  N  N    1.574   2.761  48.335  -1.237   0.638   10.888  C7    CRT    9  
CRT  C8    C8    C  0  1  N  N  N    2.066   2.307  47.015  -0.014   1.176   11.586  C8    CRT   10  
CRT  C9    C9    C  0  1  N  N  N    1.240   4.060  48.585  -1.183   0.330    9.565  C9    CRT   11  
CRT  C10   C10   C  0  1  N  N  N    1.309   5.148  47.656   0.039   0.400    8.876  C10   CRT   12  
CRT  C11   C11   C  0  1  N  N  N    0.896   6.451  48.062   0.076   0.194    7.527  C11   CRT   13  
CRT  C12   C12   C  0  1  N  N  N    0.907   7.644  47.290   1.295   0.264    6.840  C12   CRT   14  
CRT  C13   C13   C  0  1  N  N  N    1.403   7.645  45.896   2.566   0.566    7.591  C13   CRT   15  
CRT  C14   C14   C  0  1  N  N  N    0.438   8.815  47.911   1.332   0.056    5.478  C14   CRT   16  
CRT  C15   C15   C  0  1  N  N  N    0.419  10.121  47.368   2.556   0.075    4.801  C15   CRT   17  
CRT  C16   C16   C  0  1  N  N  N   -0.073  11.227  48.142   2.584  -0.030    3.426  C16   CRT   18  
CRT  C17   C17   C  0  1  N  N  N   -0.174  12.562  47.704   3.807  -0.012    2.749  C17   CRT   19  
CRT  C18   C18   C  0  1  N  N  N    0.360  12.941  46.382   5.094   0.123    3.521  C18   CRT   20  
CRT  C19   C19   C  0  1  N  N  N   -0.793  13.515  48.554   3.836  -0.118    1.373  C19   CRT   21  
CRT  C20   C20   C  0  1  N  N  N   -0.949  14.873  48.243   5.054  -0.045    0.692  C20   CRT   22  
CRT  C21   C21   C  0  1  N  N  N   -1.507  15.783  49.073   5.073  -0.037   -0.688  C21   CRT   23  
CRT  C22   C22   C  0  1  N  N  N   -2.148  15.449  50.285   3.875  -0.102   -1.404  C22   CRT   24  
CRT  C23   C23   C  0  1  N  N  N   -2.656  16.376  51.239   3.894  -0.094   -2.784  C23   CRT   25  
CRT  C24   C24   C  0  1  N  N  N   -2.426  17.832  51.112   5.208  -0.015   -3.518  C24   CRT   26  
CRT  C25   C25   C  0  1  N  N  N   -3.415  15.867  52.306   2.696  -0.160   -3.500  C25   CRT   27  
CRT  C26   C26   C  0  1  N  N  N   -3.468  16.372  53.632   2.707  -0.051   -4.875  C26   CRT   28  
CRT  C27   C27   C  0  1  N  N  N   -4.268  15.736  54.602   1.528  -0.245   -5.602  C27   CRT   29  
CRT  C28   C28   C  0  1  N  N  N   -4.406  16.119  55.938   1.539  -0.137   -6.975  C28   CRT   30  
CRT  C29   C29   C  0  1  N  N  N   -3.665  17.298  56.447   2.822   0.190   -7.695  C29   CRT   31  
CRT  C30   C30   C  0  1  N  N  N   -5.267  15.363  56.768   0.358  -0.330   -7.703  C30   CRT   32  
CRT  C31   C31   C  0  1  N  N  N   -5.454  15.474  58.187   0.386  -0.311   -9.068  C31   CRT   33  
CRT  C32   C32   C  0  1  N  N  N   -6.435  14.668  58.875  -0.781  -0.589   -9.799  C32   CRT   34  
CRT  C33   C33   C  0  1  N  N  N   -6.695  14.654  60.234  -0.753  -0.570  -11.158  C33   CRT   35  
CRT  C34   C34   C  0  1  N  N  N   -5.990  15.514  61.217   0.529  -0.249  -11.881  C34   CRT   36  
CRT  C35   C35   C  0  1  N  N  N   -7.723  13.715  60.730  -1.930  -0.851  -11.896  C35   CRT   37  
CRT  C36   C36   C  0  1  N  N  N   -8.192  13.877  62.172  -1.926  -0.742  -13.228  C36   CRT   38  
CRT  C37   C37   C  0  1  N  N  N   -9.265  12.836  62.456  -3.135  -1.168  -14.022  C37   CRT   39  
CRT  C38   C38   C  0  1  N  N  N  -10.437  13.272  63.366  -3.674   0.027  -14.809  C38   CRT   40  
CRT  C39   C39   C  0  1  N  N  N  -11.516  12.172  63.324  -2.593   0.541  -15.762  C39   CRT   41  
CRT  C40   C40   C  0  1  N  N  N   -9.961  13.420  64.823  -4.901  -0.404  -15.615  C40   CRT   42  
CRT  O2    O2    O  0  1  N  N  N  -10.885  14.518  62.795  -4.043   1.068  -13.901  O2    CRT   43  
CRT  C2M   C2M   C  0  1  N  N  N  -12.010  15.139  63.428  -4.480   2.172  -14.695  C2M   CRT   44  
CRT  H1M1  1H1M  H  0  0  N  N  N   -1.694  -1.946  47.599  -2.046  -1.821   16.323  H1M1  CRT   45  
CRT  H1M2  2H1M  H  0  0  N  N  N   -0.148  -2.899  47.475  -1.618  -0.511   17.450  H1M2  CRT   46  
CRT  H1M3  3H1M  H  0  0  N  N  N   -1.139  -3.139  48.857  -3.318  -1.007   17.265  H1M3  CRT   47  
CRT  H21A  1H2   H  0  0  N  N  N    3.027  -2.912  49.269  -2.086  -1.656   13.809  H21A  CRT   48  
CRT  H22A  2H2   H  0  0  N  N  N    1.687  -3.336  48.084  -3.037  -2.512   15.047  H22A  CRT   49  
CRT  H23   3H2   H  0  1  N  N  N    2.461  -1.836  47.890  -3.779  -2.099   13.483  H23   CRT   50  
CRT  H31A  1H3   H  0  0  N  N  N    1.568  -3.264  51.257  -5.098   0.293   16.121  H31A  CRT   51  
CRT  H32A  2H3   H  0  0  N  N  N   -0.082  -2.455  51.376  -5.641  -0.893   14.911  H32A  CRT   52  
CRT  H33   3H3   H  0  1  N  N  N    0.088  -3.718  50.258  -4.709  -1.430   16.329  H33   CRT   53  
CRT  H41   1H4   H  0  1  N  N  N    0.941  -0.150  50.993  -4.543   0.165   13.012  H41   CRT   54  
CRT  H42   2H4   H  0  1  N  N  N    2.480  -0.902  51.044  -4.105   1.514   14.088  H42   CRT   55  
CRT  H5    H5    H  0  1  N  N  N    3.148   0.350  48.734  -1.619   1.141   13.412  H5    CRT   56  
CRT  H6    H6    H  0  1  N  N  N    0.700   1.957  50.255  -3.318   0.068   11.109  H6    CRT   57  
CRT  H81   1H8   H  0  1  N  N  N    2.187   3.053  46.195   0.585   0.346   11.960  H81   CRT   58  
CRT  H82   2H8   H  0  1  N  N  N    3.033   1.771  47.158   0.575   1.764   10.884  H82   CRT   59  
CRT  H83   3H8   H  0  1  N  N  N    1.410   1.480  46.653  -0.321   1.806   12.421  H83   CRT   60  
CRT  H9    H9    H  0  1  N  N  N    0.888   4.244  49.614  -2.080   0.032    9.043  H9    CRT   61  
CRT  H10   H10   H  0  1  N  N  N    1.679   4.982  46.630   0.950   0.617    9.414  H10   CRT   62  
CRT  H11   H11   H  0  1  N  N  N    0.523   6.547  49.095  -0.834  -0.021    6.989  H11   CRT   63  
CRT  H131  1H13  H  0  0  N  N  N    1.411   8.581  45.290   2.498   0.159    8.600  H131  CRT   64  
CRT  H132  2H13  H  0  0  N  N  N    2.434   7.222  45.895   3.411   0.112    7.072  H132  CRT   65  
CRT  H133  3H13  H  0  0  N  N  N    0.838   6.869  45.327   2.710   1.646    7.643  H133  CRT   66  
CRT  H14   H14   H  0  1  N  N  N    0.042   8.696  48.933   0.416  -0.120    4.934  H14   CRT   67  
CRT  H15   H15   H  0  1  N  N  N    0.788  10.277  46.340   3.478   0.172    5.354  H15   CRT   68  
CRT  H16   H16   H  0  1  N  N  N   -0.406  11.031  49.175   1.662  -0.128    2.872  H16   CRT   69  
CRT  H181  1H18  H  0  0  N  N  N    0.280  13.997  46.035   4.902   0.649    4.456  H181  CRT   70  
CRT  H182  2H18  H  0  0  N  N  N    1.429  12.631  46.330   5.495  -0.866    3.736  H182  CRT   71  
CRT  H183  3H18  H  0  0  N  N  N   -0.100  12.279  45.611   5.815   0.686    2.929  H183  CRT   72  
CRT  H19   H19   H  0  1  N  N  N   -1.181  13.175  49.528   2.917  -0.258    0.823  H19   CRT   73  
CRT  H20   H20   H  0  1  N  N  N   -0.605  15.256  47.267   5.980   0.005    1.245  H20   CRT   74  
CRT  H21   H21   H  0  1  N  N  N   -1.436  16.835  48.749   6.014   0.019   -1.214  H21   CRT   75  
CRT  H22   H22   H  0  1  N  N  N   -2.261  14.374  50.504   2.934  -0.159   -0.877  H22   CRT   76  
CRT  H241  1H24  H  0  0  N  N  N   -2.823  18.557  51.859   5.031  -0.108   -4.590  H241  CRT   77  
CRT  H242  2H24  H  0  0  N  N  N   -1.326  17.997  51.028   5.683   0.943   -3.310  H242  CRT   78  
CRT  H243  3H24  H  0  0  N  N  N   -2.786  18.147  50.105   5.859  -0.823   -3.186  H243  CRT   79  
CRT  H25   H25   H  0  1  N  N  N   -4.031  14.981  52.079   1.761  -0.296   -2.977  H25   CRT   80  
CRT  H26   H26   H  0  1  N  N  N   -2.883  17.264  53.910   3.627   0.182   -5.391  H26   CRT   81  
CRT  H27   H27   H  0  1  N  N  N   -4.843  14.850  54.283   0.608  -0.479   -5.086  H27   CRT   82  
CRT  H291  1H29  H  0  0  N  N  N   -3.775  17.603  57.513   2.618   0.330   -8.756  H291  CRT   83  
CRT  H292  2H29  H  0  0  N  N  N   -2.580  17.155  56.230   3.247   1.105   -7.282  H292  CRT   84  
CRT  H293  3H29  H  0  0  N  N  N   -3.907  18.174  55.801   3.530  -0.629   -7.566  H293  CRT   85  
CRT  H30   H30   H  0  1  N  N  N   -5.863  14.595  56.246  -0.574  -0.495   -7.185  H30   CRT   86  
CRT  H31   H31   H  0  1  N  N  N   -4.835  16.188  58.756   1.305  -0.081   -9.586  H31   CRT   87  
CRT  H32   H32   H  0  1  N  N  N   -7.064  13.976  58.289  -1.700  -0.819   -9.281  H32   CRT   88  
CRT  H341  1H34  H  0  0  N  N  N   -6.199  15.502  62.312   0.344  -0.219  -12.955  H341  CRT   89  
CRT  H342  2H34  H  0  0  N  N  N   -4.897  15.331  61.089   0.901   0.720  -11.549  H342  CRT   90  
CRT  H343  3H34  H  0  0  N  N  N   -6.102  16.568  60.871   1.272  -1.017  -11.662  H343  CRT   91  
CRT  H35   H35   H  0  1  N  N  N   -8.119  12.934  60.059  -2.830  -1.152  -11.381  H35   CRT   92  
CRT  H36   H36   H  0  1  N  N  N   -7.816  14.624  62.891  -1.057  -0.350  -13.735  H36   CRT   93  
CRT  H371  1H37  H  0  0  N  N  N   -9.666  12.442  61.493  -2.853  -1.961  -14.714  H371  CRT   94  
CRT  H372  2H37  H  0  0  N  N  N   -8.791  11.916  62.872  -3.905  -1.534  -13.343  H372  CRT   95  
CRT  H391  1H39  H  0  0  N  N  N  -12.361  12.486  63.980  -1.788   0.997  -15.185  H391  CRT   96  
CRT  H392  2H39  H  0  0  N  N  N  -11.844  11.931  62.285  -2.196  -0.290  -16.344  H392  CRT   97  
CRT  H393  3H39  H  0  0  N  N  N  -11.115  11.166  63.591  -3.024   1.282  -16.435  H393  CRT   98  
CRT  H401  1H40  H  0  0  N  N  N  -10.806  13.734  65.479  -5.712  -0.660  -14.933  H401  CRT   99  
CRT  H402  2H40  H  0  0  N  N  N   -9.470  12.490  65.195  -5.216   0.413  -16.263  H402  CRT  100  
CRT  H403  3H40  H  0  0  N  N  N   -9.091  14.112  64.906  -4.649  -1.273  -16.223  H403  CRT  101  
CRT  H2M1  1H2M  H  0  0  N  N  N  -12.356  16.102  62.986  -4.777   2.994  -14.043  H2M1  CRT  102  
CRT  H2M2  2H2M  H  0  0  N  N  N  -12.860  14.419  63.474  -3.667   2.499  -15.343  H2M2  CRT  103  
CRT  H2M3  3H2M  H  0  0  N  N  N  -11.801  15.276  64.514  -5.331   1.868  -15.305  H2M3  CRT  104  
#   #
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
CRT  C1M  O1    SING  N  N    1  
CRT  C1M  H1M1  SING  N  N    2  
CRT  C1M  H1M2  SING  N  N    3  
CRT  C1M  H1M3  SING  N  N    4  
CRT  O1   C1    SING  N  N    5  
CRT  C1   C2    SING  N  N    6  
CRT  C1   C3    SING  N  N    7  
CRT  C1   C4    SING  N  N    8  
CRT  C2   H21A  SING  N  N    9  
CRT  C2   H22A  SING  N  N   10  
CRT  C2   H23   SING  N  N   11  
CRT  C3   H31A  SING  N  N   12  
CRT  C3   H32A  SING  N  N   13  
CRT  C3   H33   SING  N  N   14  
CRT  C4   C5    SING  N  N   15  
CRT  C4   H41   SING  N  N   16  
CRT  C4   H42   SING  N  N   17  
CRT  C5   C6    DOUB  N  E   18  
CRT  C5   H5    SING  N  N   19  
CRT  C6   C7    SING  N  N   20  
CRT  C6   H6    SING  N  N   21  
CRT  C7   C8    SING  N  N   22  
CRT  C7   C9    DOUB  N  E   23  
CRT  C8   H81   SING  N  N   24  
CRT  C8   H82   SING  N  N   25  
CRT  C8   H83   SING  N  N   26  
CRT  C9   C10   SING  N  N   27  
CRT  C9   H9    SING  N  N   28  
CRT  C10  C11   DOUB  N  E   29  
CRT  C10  H10   SING  N  N   30  
CRT  C11  C12   SING  N  N   31  
CRT  C11  H11   SING  N  N   32  
CRT  C12  C13   SING  N  N   33  
CRT  C12  C14   DOUB  N  E   34  
CRT  C13  H131  SING  N  N   35  
CRT  C13  H132  SING  N  N   36  
CRT  C13  H133  SING  N  N   37  
CRT  C14  C15   SING  N  N   38  
CRT  C14  H14   SING  N  N   39  
CRT  C15  C16   DOUB  N  E   40  
CRT  C15  H15   SING  N  N   41  
CRT  C16  C17   SING  N  N   42  
CRT  C16  H16   SING  N  N   43  
CRT  C17  C18   SING  N  N   44  
CRT  C17  C19   DOUB  N  E   45  
CRT  C18  H181  SING  N  N   46  
CRT  C18  H182  SING  N  N   47  
CRT  C18  H183  SING  N  N   48  
CRT  C19  C20   SING  N  N   49  
CRT  C19  H19   SING  N  N   50  
CRT  C20  C21   DOUB  N  Z   51  
CRT  C20  H20   SING  N  N   52  
CRT  C21  C22   SING  N  N   53  
CRT  C21  H21   SING  N  N   54  
CRT  C22  C23   DOUB  N  E   55  
CRT  C22  H22   SING  N  N   56  
CRT  C23  C24   SING  N  N   57  
CRT  C23  C25   SING  N  N   58  
CRT  C24  H241  SING  N  N   59  
CRT  C24  H242  SING  N  N   60  
CRT  C24  H243  SING  N  N   61  
CRT  C25  C26   DOUB  N  E   62  
CRT  C25  H25   SING  N  N   63  
CRT  C26  C27   SING  N  N   64  
CRT  C26  H26   SING  N  N   65  
CRT  C27  C28   DOUB  N  E   66  
CRT  C27  H27   SING  N  N   67  
CRT  C28  C29   SING  N  N   68  
CRT  C28  C30   SING  N  N   69  
CRT  C29  H291  SING  N  N   70  
CRT  C29  H292  SING  N  N   71  
CRT  C29  H293  SING  N  N   72  
CRT  C30  C31   DOUB  N  E   73  
CRT  C30  H30   SING  N  N   74  
CRT  C31  C32   SING  N  N   75  
CRT  C31  H31   SING  N  N   76  
CRT  C32  C33   DOUB  N  E   77  
CRT  C32  H32   SING  N  N   78  
CRT  C33  C34   SING  N  N   79  
CRT  C33  C35   SING  N  N   80  
CRT  C34  H341  SING  N  N   81  
CRT  C34  H342  SING  N  N   82  
CRT  C34  H343  SING  N  N   83  
CRT  C35  C36   DOUB  N  E   84  
CRT  C35  H35   SING  N  N   85  
CRT  C36  C37   SING  N  N   86  
CRT  C36  H36   SING  N  N   87  
CRT  C37  C38   SING  N  N   88  
CRT  C37  H371  SING  N  N   89  
CRT  C37  H372  SING  N  N   90  
CRT  C38  C39   SING  N  N   91  
CRT  C38  C40   SING  N  N   92  
CRT  C38  O2    SING  N  N   93  
CRT  C39  H391  SING  N  N   94  
CRT  C39  H392  SING  N  N   95  
CRT  C39  H393  SING  N  N   96  
CRT  C40  H401  SING  N  N   97  
CRT  C40  H402  SING  N  N   98  
CRT  C40  H403  SING  N  N   99  
CRT  O2   C2M   SING  N  N  100  
CRT  C2M  H2M1  SING  N  N  101  
CRT  C2M  H2M2  SING  N  N  102  
CRT  C2M  H2M3  SING  N  N  103  
#   #
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
CRT  SMILES            ACDLabs               10.04  "O(C)C(C)(C)C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\CC(OC)(C)C)C)C)C)C)C)C"  
CRT  SMILES_CANONICAL  CACTVS                3.341  "COC(C)(C)C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)OC"  
CRT  SMILES            CACTVS                3.341  "COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC"  
CRT  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "C/C(=C\C=C\C(=C\C=C\C(=C\C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)\C)\C)/C=CCC(C)(C)OC"  
CRT  SMILES            "OpenEye OEToolkits"  1.5.0  "CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C=CCC(C)(C)OC"  
CRT  InChI             InChI                 1.03   "InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13-,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+"  
CRT  InChIKey          InChI                 1.03   VAZQBTJCYODOSV-RISZBRKMSA-N  
#   #
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
CRT  "SYSTEMATIC NAME"  ACDLabs               10.04  "(3E,3'E,15cis)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-carotene"  
CRT  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  "(6E,8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
CRT  "Create component"   1999-07-08  RCSB  
CRT  "Modify descriptor"  2011-06-04  RCSB  
CRT  "Modify synonyms"    2020-06-05  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     CRT
_pdbx_chem_comp_synonyms.name        RHODOVIOLASCIN
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
