data_RBT
# 
_chem_comp.id                                    RBT 
_chem_comp.name                                  RIFABUTIN 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAD 
_chem_comp.formula                               "C46 H62 N4 O11" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         
;(9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6-16,18,20- TETRAHYDROXY-1'-ISOBUTYL-14-METHOXY-7,9,15,17,19,21,25- HEPTAMETHYLSPIRO(9,4-(EPOXYPENTADECA(1,11,13)TRIENIMINO)-2H- FURO(2',3':7,8)NAPHTH(1,2-D)IMIDAZOLE-2,4'-PIPERIDINE)- 5,10,26(3H,9H)-TRIONE,16-ACETATE; ANSAMYCIN
;
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2005-07-19 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        847.005 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     RBT 
_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        ? 
_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 
RBT C1   C1   C 0 1 N N N 136.245 122.118 40.927 -2.899 -1.917 2.618  C1   RBT 1   
RBT C2   C2   C 0 1 N N N 136.737 120.722 40.578 -3.446 -1.841 1.266  C2   RBT 2   
RBT C3   C3   C 0 1 N N N 138.188 120.403 40.661 -3.532 -0.610 0.650  C3   RBT 3   
RBT C4   C4   C 0 1 N N N 139.134 121.365 41.137 -2.739 0.524  1.200  C4   RBT 4   
RBT C5   C5   C 0 1 Y N N 139.717 123.811 41.929 -0.746 1.130  2.694  C5   RBT 5   
RBT C6   C6   C 0 1 Y N N 139.233 125.189 42.167 -0.186 1.101  3.991  C6   RBT 6   
RBT C7   C7   C 0 1 Y N N 137.892 125.645 42.142 -0.575 0.072  4.841  C7   RBT 7   
RBT C8   C8   C 0 1 Y N N 136.810 124.601 41.796 -1.475 -0.899 4.418  C8   RBT 8   
RBT C9   C9   C 0 1 Y N N 137.255 123.139 41.415 -2.085 -0.810 3.165  C9   RBT 9   
RBT C10  C10  C 0 1 Y N N 138.747 122.726 41.507 -1.858 0.334  2.371  C10  RBT 10  
RBT C11  C11  C 0 1 N N N 141.105 123.835 42.138 0.123  2.053  1.933  C11  RBT 11  
RBT C12  C12  C 0 1 N N S 141.534 125.276 42.376 1.306  2.315  2.884  C12  RBT 12  
RBT C13  C13  C 0 1 N N N 142.302 125.497 43.640 2.309  1.153  2.713  C13  RBT 13  
RBT C14  C14  C 0 1 N N N 137.482 127.074 42.411 0.000  -0.002 6.232  C14  RBT 14  
RBT C15  C15  C 0 1 N N N 134.532 119.372 40.278 -2.800 -3.608 -0.111 C15  RBT 15  
RBT C16  C16  C 0 1 N N N 134.106 118.084 39.639 -2.796 -4.989 -0.545 C16  RBT 16  
RBT C17  C17  C 0 1 N N N 133.809 117.887 38.280 -1.797 -5.498 -1.300 C17  RBT 17  
RBT C18  C18  C 0 1 N N N 133.844 118.803 37.087 -0.701 -4.699 -1.837 C18  RBT 18  
RBT C19  C19  C 0 1 N N N 134.841 118.723 36.165 0.466  -5.262 -2.150 C19  RBT 19  
RBT C20  C20  C 0 1 N N S 135.071 119.534 34.885 1.603  -4.472 -2.739 C20  RBT 20  
RBT C21  C21  C 0 1 N N S 135.993 120.817 35.099 2.159  -3.444 -1.763 C21  RBT 21  
RBT C22  C22  C 0 1 N N R 136.927 121.376 33.937 2.743  -2.243 -2.524 C22  RBT 22  
RBT C23  C23  C 0 1 N N R 137.811 122.607 34.323 3.384  -1.270 -1.533 C23  RBT 23  
RBT C24  C24  C 0 1 N N R 138.781 122.543 35.579 4.690  -0.680 -2.028 C24  RBT 24  
RBT C25  C25  C 0 1 N N S 139.512 123.976 35.844 5.011  0.670  -1.386 C25  RBT 25  
RBT C26  C26  C 0 1 N N R 139.914 124.319 37.327 3.781  1.526  -1.129 C26  RBT 26  
RBT C27  C27  C 0 1 N N S 140.637 125.735 37.534 4.143  2.760  -0.280 C27  RBT 27  
RBT C28  C28  C 0 1 N N N 141.103 126.052 39.017 2.932  3.124  0.547  C28  RBT 28  
RBT C29  C29  C 0 1 N N N 142.092 125.431 39.722 3.012  3.279  1.851  C29  RBT 29  
RBT C30  C30  C 0 1 N N N 134.024 116.952 40.638 -3.933 -5.906 -0.148 C30  RBT 30  
RBT C31  C31  C 0 1 N N N 135.628 118.459 33.882 2.720  -5.449 -3.130 C31  RBT 31  
RBT C32  C32  C 0 1 N N N 136.124 121.761 32.627 1.597  -1.515 -3.244 C32  RBT 32  
RBT C33  C33  C 0 1 N N N 139.819 121.393 35.476 4.766  -0.558 -3.547 C33  RBT 33  
RBT C34  C34  C 0 1 N N N 138.649 124.213 38.149 3.184  2.037  -2.444 C34  RBT 34  
RBT C35  C35  C 0 1 N N N 140.668 124.848 33.794 7.042  0.292  -0.115 C35  RBT 35  
RBT C36  C36  C 0 1 N N N 141.952 124.832 33.103 7.750  -0.066 1.166  C36  RBT 36  
RBT C37  C37  C 0 1 N N N 139.128 127.821 37.953 5.341  4.711  -0.426 C37  RBT 37  
RBT C38  C38  C 0 1 N N N 140.224 119.560 40.644 -3.948 1.273  -0.552 C38  RBT 38  
RBT C39  C39  C 0 1 N N N 141.053 119.382 39.316 -3.502 1.721  -1.934 C39  RBT 39  
RBT C40  C40  C 0 1 N N N 140.795 118.678 41.855 -5.254 2.008  -0.194 C40  RBT 40  
RBT C41  C41  C 0 1 N N N 142.154 118.293 39.162 -4.628 1.545  -2.934 C41  RBT 41  
RBT C42  C42  C 0 1 N N N 141.996 117.692 41.685 -6.286 1.801  -1.279 C42  RBT 42  
RBT C43  C43  C 0 1 N N N 144.089 117.102 40.334 -5.360 3.681  -2.323 C43  RBT 43  
RBT C44  C44  C 0 1 N N N 145.443 117.517 40.880 -4.962 4.369  -3.631 C44  RBT 44  
RBT C45  C45  C 0 1 N N N 145.713 116.793 42.197 -6.206 4.574  -4.498 C45  RBT 45  
RBT C46  C46  C 0 1 N N N 146.534 117.183 39.862 -4.328 5.726  -3.320 C46  RBT 46  
RBT N1   N1   N 0 1 N N N 135.872 119.634 40.118 -3.780 -2.969 0.527  N1   RBT 47  
RBT N2   N2   N 0 1 N N N 138.911 119.274 40.452 -4.183 -0.170 -0.485 N2   RBT 48  
RBT N3   N3   N 0 1 N N N 140.322 120.856 40.995 -2.972 1.590  0.487  N3   RBT 49  
RBT N4   N4   N 0 1 N N N 142.944 118.116 40.506 -5.871 2.302  -2.619 N4   RBT 50  
RBT O1   O1   O 0 1 N N N 134.962 122.451 40.784 -3.109 -2.908 3.299  O1   RBT 51  
RBT O2   O2   O 0 1 N N N 135.567 124.918 41.825 -1.784 -1.919 5.254  O2   RBT 52  
RBT O3   O3   O 0 1 N N N 140.282 126.049 42.409 0.715  2.111  4.180  O3   RBT 53  
RBT O4   O4   O 0 1 N N N 141.977 122.924 42.123 -0.059 2.495  0.821  O4   RBT 54  
RBT O5   O5   O 0 1 N N N 142.416 125.795 41.171 1.905  3.555  2.602  O5   RBT 55  
RBT O6   O6   O 0 1 N N N 139.665 126.841 36.975 4.465  3.845  -1.151 O6   RBT 56  
RBT O7   O7   O 0 1 N N N 140.692 124.087 34.961 5.708  0.436  -0.127 O7   RBT 57  
RBT O8   O8   O 0 1 N N N 139.710 125.430 33.416 7.676  0.451  -1.132 O8   RBT 58  
RBT O9   O9   O 0 1 N N N 136.963 123.780 34.538 3.624  -1.956 -0.294 O9   RBT 59  
RBT O10  O10  O 0 1 N N N 135.104 121.849 35.587 1.136  -2.991 -0.879 O10  RBT 60  
RBT O11  O11  O 0 1 N N N 133.730 120.053 40.863 -1.771 -2.967 -0.289 O11  RBT 61  
RBT H131 1H13 H 0 0 N N N 142.616 126.552 43.814 3.155  1.302  3.386  H131 RBT 62  
RBT H132 2H13 H 0 0 N N N 141.726 125.114 44.514 1.817  0.210  2.951  H132 RBT 63  
RBT H133 3H13 H 0 0 N N N 143.185 124.818 43.680 2.665  1.128  1.683  H133 RBT 64  
RBT H141 1H14 H 0 0 N N N 136.426 127.432 42.391 -0.633 0.561  6.918  H141 RBT 65  
RBT H142 2H14 H 0 0 N N N 137.905 127.355 43.403 0.045  -1.044 6.552  H142 RBT 66  
RBT H143 3H14 H 0 0 N N N 138.060 127.718 41.708 1.004  0.422  6.233  H143 RBT 67  
RBT H17  H17  H 0 1 N N N 133.496 116.840 38.123 -1.818 -6.566 -1.518 H17  RBT 68  
RBT H18  H18  H 0 1 N N N 133.092 119.581 36.875 -0.836 -3.639 -2.009 H18  RBT 69  
RBT H19  H19  H 0 1 N N N 135.529 117.923 36.486 0.594  -6.326 -1.978 H19  RBT 70  
RBT H20  H20  H 0 1 N N N 134.145 120.016 34.493 1.247  -3.988 -3.649 H20  RBT 71  
RBT H21  H21  H 0 1 N N N 136.793 120.474 35.794 2.957  -3.914 -1.181 H21  RBT 72  
RBT H22  H22  H 0 1 N N N 137.601 120.509 33.746 3.457  -2.622 -3.245 H22  RBT 73  
RBT H23  H23  H 0 1 N N N 138.492 122.640 33.441 2.658  -0.475 -1.331 H23  RBT 74  
RBT H24  H24  H 0 1 N N N 138.138 122.316 36.461 5.503  -1.374 -1.724 H24  RBT 75  
RBT H25  H25  H 0 1 N N N 138.728 124.734 35.608 5.695  1.215  -2.050 H25  RBT 76  
RBT H26  H26  H 0 1 N N N 140.694 123.593 37.655 3.029  0.959  -0.582 H26  RBT 77  
RBT H27  H27  H 0 1 N N N 141.600 125.711 36.973 4.984  2.538  0.365  H27  RBT 78  
RBT H28  H28  H 0 1 N N N 140.668 126.832 39.664 1.984  3.268  0.043  H28  RBT 79  
RBT H29  H29  H 0 1 N N N 142.615 124.656 39.136 3.980  3.224  2.333  H29  RBT 80  
RBT H301 1H30 H 0 0 N N N 133.707 115.994 40.162 -4.717 -5.861 -0.904 H301 RBT 81  
RBT H302 2H30 H 0 0 N N N 134.985 116.830 41.189 -3.564 -6.929 -0.068 H302 RBT 82  
RBT H303 3H30 H 0 0 N N N 133.360 117.216 41.494 -4.336 -5.590 0.814  H303 RBT 83  
RBT H311 1H31 H 0 0 N N N 135.795 119.049 32.950 2.341  -6.160 -3.863 H311 RBT 84  
RBT H312 2H31 H 0 0 N N N 136.521 117.900 34.246 3.554  -4.893 -3.560 H312 RBT 85  
RBT H313 3H31 H 0 0 N N N 134.979 117.561 33.754 3.060  -5.985 -2.244 H313 RBT 86  
RBT H321 1H32 H 0 0 N N N 136.778 122.152 31.813 0.868  -1.170 -2.511 H321 RBT 87  
RBT H322 2H32 H 0 0 N N N 135.513 120.900 32.267 1.997  -0.659 -3.789 H322 RBT 88  
RBT H323 3H32 H 0 0 N N N 135.304 122.480 32.859 1.114  -2.198 -3.943 H323 RBT 89  
RBT H331 1H33 H 0 0 N N N 140.500 121.348 36.357 3.962  0.088  -3.901 H331 RBT 90  
RBT H332 2H33 H 0 0 N N N 139.314 120.412 35.309 5.728  -0.128 -3.829 H332 RBT 91  
RBT H333 3H33 H 0 0 N N N 140.398 121.461 34.525 4.664  -1.545 -3.997 H333 RBT 92  
RBT H341 1H34 H 0 0 N N N 138.933 124.455 39.199 2.897  1.189  -3.067 H341 RBT 93  
RBT H342 2H34 H 0 0 N N N 137.815 124.843 37.760 2.306  2.646  -2.232 H342 RBT 94  
RBT H343 3H34 H 0 0 N N N 138.136 123.227 38.046 3.926  2.639  -2.969 H343 RBT 95  
RBT H361 1H36 H 0 0 N N N 141.932 125.440 32.169 7.379  -1.024 1.531  H361 RBT 96  
RBT H362 2H36 H 0 0 N N N 142.778 125.154 33.778 8.822  -0.138 0.981  H362 RBT 97  
RBT H363 3H36 H 0 0 N N N 142.287 123.788 32.898 7.562  0.705  1.913  H363 RBT 98  
RBT H371 1H37 H 0 0 N N N 138.439 128.604 37.557 4.823  5.102  0.449  H371 RBT 99  
RBT H372 2H37 H 0 0 N N N 138.631 127.277 38.790 6.222  4.152  -0.108 H372 RBT 100 
RBT H373 3H37 H 0 0 N N N 139.972 128.306 38.495 5.648  5.537  -1.067 H373 RBT 101 
RBT H391 1H39 H 0 0 N N N 140.327 119.249 38.480 -3.111 2.730  -1.904 H391 RBT 102 
RBT H392 2H39 H 0 0 N N N 141.515 120.366 39.071 -2.663 1.068  -2.241 H392 RBT 103 
RBT H401 1H40 H 0 0 N N N 141.047 119.374 42.688 -5.638 1.554  0.740  H401 RBT 104 
RBT H402 2H40 H 0 0 N N N 139.942 118.099 42.280 -5.059 3.047  0.034  H402 RBT 105 
RBT H411 1H41 H 0 0 N N N 141.733 117.326 38.798 -4.298 1.873  -3.925 H411 RBT 106 
RBT H412 2H41 H 0 0 N N N 142.835 118.510 38.306 -4.905 0.489  -3.000 H412 RBT 107 
RBT H421 1H42 H 0 0 N N N 142.562 117.576 42.638 -7.214 2.318  -1.014 H421 RBT 108 
RBT H422 2H42 H 0 0 N N N 141.642 116.641 41.562 -6.510 0.735  -1.385 H422 RBT 109 
RBT H431 1H43 H 0 0 N N N 144.186 116.822 39.258 -6.141 4.260  -1.831 H431 RBT 110 
RBT H432 2H43 H 0 0 N N N 143.791 116.120 40.771 -4.491 3.614  -1.669 H432 RBT 111 
RBT H44  H44  H 0 1 N N N 145.445 118.616 41.065 -4.245 3.746  -4.165 H44  RBT 112 
RBT H451 1H45 H 0 0 N N N 146.707 117.097 42.598 -5.917 5.022  -5.448 H451 RBT 113 
RBT H452 2H45 H 0 0 N N N 144.895 116.951 42.938 -6.684 3.612  -4.680 H452 RBT 114 
RBT H453 3H45 H 0 0 N N N 145.623 115.686 42.093 -6.904 5.234  -3.982 H453 RBT 115 
RBT H461 1H46 H 0 0 N N N 147.528 117.487 40.263 -3.442 5.580  -2.703 H461 RBT 116 
RBT H462 2H46 H 0 0 N N N 146.513 116.109 39.561 -4.044 6.216  -4.252 H462 RBT 117 
RBT H463 3H46 H 0 0 N N N 146.328 117.633 38.863 -5.045 6.349  -2.786 H463 RBT 118 
RBT HN1  HN1  H 0 1 N N N 136.298 118.892 39.561 -4.704 -3.269 0.475  HN1  RBT 119 
RBT HN2  HN2  H 0 1 N N N 138.730 118.857 39.538 -4.694 -0.709 -1.112 HN2  RBT 120 
RBT HO2  HO2  H 0 1 N N N 134.900 124.275 41.612 -2.547 -1.633 5.774  HO2  RBT 121 
RBT HO9  HO9  H 0 1 N N N 137.500 124.527 34.772 2.765  -2.263 0.027  HO9  RBT 122 
RBT H10  H10  H 0 1 N N N 135.653 122.613 35.714 0.815  -3.769 -0.402 H10  RBT 123 
# 
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 
RBT C1  C2   SING N N 1   
RBT C1  C9   SING N N 2   
RBT C1  O1   DOUB N N 3   
RBT C2  C3   DOUB N N 4   
RBT C2  N1   SING N N 5   
RBT C3  C4   SING N N 6   
RBT C3  N2   SING N N 7   
RBT C4  C10  SING N N 8   
RBT C4  N3   DOUB N N 9   
RBT C5  C6   DOUB Y N 10  
RBT C5  C10  SING Y N 11  
RBT C5  C11  SING N N 12  
RBT C6  C7   SING Y N 13  
RBT C6  O3   SING N N 14  
RBT C7  C8   DOUB Y N 15  
RBT C7  C14  SING N N 16  
RBT C8  C9   SING Y N 17  
RBT C8  O2   SING N N 18  
RBT C9  C10  DOUB Y N 19  
RBT C11 C12  SING N N 20  
RBT C11 O4   DOUB N N 21  
RBT C12 C13  SING N N 22  
RBT C12 O3   SING N N 23  
RBT C12 O5   SING N N 24  
RBT C13 H131 SING N N 25  
RBT C13 H132 SING N N 26  
RBT C13 H133 SING N N 27  
RBT C14 H141 SING N N 28  
RBT C14 H142 SING N N 29  
RBT C14 H143 SING N N 30  
RBT C15 C16  SING N N 31  
RBT C15 N1   SING N N 32  
RBT C15 O11  DOUB N N 33  
RBT C16 C17  DOUB N Z 34  
RBT C16 C30  SING N N 35  
RBT C17 C18  SING N N 36  
RBT C17 H17  SING N N 37  
RBT C18 C19  DOUB N E 38  
RBT C18 H18  SING N N 39  
RBT C19 C20  SING N N 40  
RBT C19 H19  SING N N 41  
RBT C20 C21  SING N N 42  
RBT C20 C31  SING N N 43  
RBT C20 H20  SING N N 44  
RBT C21 C22  SING N N 45  
RBT C21 O10  SING N N 46  
RBT C21 H21  SING N N 47  
RBT C22 C23  SING N N 48  
RBT C22 C32  SING N N 49  
RBT C22 H22  SING N N 50  
RBT C23 C24  SING N N 51  
RBT C23 O9   SING N N 52  
RBT C23 H23  SING N N 53  
RBT C24 C25  SING N N 54  
RBT C24 C33  SING N N 55  
RBT C24 H24  SING N N 56  
RBT C25 C26  SING N N 57  
RBT C25 O7   SING N N 58  
RBT C25 H25  SING N N 59  
RBT C26 C27  SING N N 60  
RBT C26 C34  SING N N 61  
RBT C26 H26  SING N N 62  
RBT C27 C28  SING N N 63  
RBT C27 O6   SING N N 64  
RBT C27 H27  SING N N 65  
RBT C28 C29  DOUB N E 66  
RBT C28 H28  SING N N 67  
RBT C29 O5   SING N N 68  
RBT C29 H29  SING N N 69  
RBT C30 H301 SING N N 70  
RBT C30 H302 SING N N 71  
RBT C30 H303 SING N N 72  
RBT C31 H311 SING N N 73  
RBT C31 H312 SING N N 74  
RBT C31 H313 SING N N 75  
RBT C32 H321 SING N N 76  
RBT C32 H322 SING N N 77  
RBT C32 H323 SING N N 78  
RBT C33 H331 SING N N 79  
RBT C33 H332 SING N N 80  
RBT C33 H333 SING N N 81  
RBT C34 H341 SING N N 82  
RBT C34 H342 SING N N 83  
RBT C34 H343 SING N N 84  
RBT C35 C36  SING N N 85  
RBT C35 O7   SING N N 86  
RBT C35 O8   DOUB N N 87  
RBT C36 H361 SING N N 88  
RBT C36 H362 SING N N 89  
RBT C36 H363 SING N N 90  
RBT C37 O6   SING N N 91  
RBT C37 H371 SING N N 92  
RBT C37 H372 SING N N 93  
RBT C37 H373 SING N N 94  
RBT C38 C39  SING N N 95  
RBT C38 C40  SING N N 96  
RBT C38 N2   SING N N 97  
RBT C38 N3   SING N N 98  
RBT C39 C41  SING N N 99  
RBT C39 H391 SING N N 100 
RBT C39 H392 SING N N 101 
RBT C40 C42  SING N N 102 
RBT C40 H401 SING N N 103 
RBT C40 H402 SING N N 104 
RBT C41 N4   SING N N 105 
RBT C41 H411 SING N N 106 
RBT C41 H412 SING N N 107 
RBT C42 N4   SING N N 108 
RBT C42 H421 SING N N 109 
RBT C42 H422 SING N N 110 
RBT C43 C44  SING N N 111 
RBT C43 N4   SING N N 112 
RBT C43 H431 SING N N 113 
RBT C43 H432 SING N N 114 
RBT C44 C45  SING N N 115 
RBT C44 C46  SING N N 116 
RBT C44 H44  SING N N 117 
RBT C45 H451 SING N N 118 
RBT C45 H452 SING N N 119 
RBT C45 H453 SING N N 120 
RBT C46 H461 SING N N 121 
RBT C46 H462 SING N N 122 
RBT C46 H463 SING N N 123 
RBT N1  HN1  SING N N 124 
RBT N2  HN2  SING N N 125 
RBT O2  HO2  SING N N 126 
RBT O9  HO9  SING N N 127 
RBT O10 H10  SING N N 128 
# 
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 
RBT SMILES           ACDLabs              10.04 O=C4c5c2C1=NC6(NC1=C3C(=O)c2c(O)c(c5OC4(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)N3)C)C)C)C)C)CCN(CC(C)C)CC6 
RBT InChI            InChI                1.02b 
;InChI=1/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12+,20-15+,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1/f/h47H
;
RBT InChIKey         InChI                1.02b ATEBXHFBFRCZMA-DVOOEMCODL 
RBT SMILES_CANONICAL CACTVS               3.341 CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4C(=O)C(=C5NC6(CCN(CC6)CC(C)C)N=C5c4c3C2=O)NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C 
RBT SMILES           CACTVS               3.341 CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4C(=O)C(=C5NC6(CCN(CC6)CC(C)C)N=C5c4c3C2=O)NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C)C 
RBT SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O 
RBT SMILES           "OpenEye OEToolkits" 1.5.0 Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O 
# 
_pdbx_chem_comp_identifier.comp_id           RBT 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           ACDLabs 
_pdbx_chem_comp_identifier.program_version   10.04 
_pdbx_chem_comp_identifier.identifier        
;(9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-5,10,26-trioxo-3,5,9,10-tetrahydrospiro[9,4-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl acetate
;
# 
