data_MAU
# 
_chem_comp.id                                    MAU 
_chem_comp.name                                  "N-METHYL KIRROMYCIN" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C44 H62 N2 O12" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "AURODOX; 1-METHYLMOCIMYCIN; ANTIBIOTIC X-5108; GOLDINODOX; GOLDINOMYCIN" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2001-03-29 
_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                        810.969 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     MAU 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        "not provided" 
_chem_comp.pdbx_ideal_coordinates_missing_flag   Y 
_chem_comp.pdbx_model_coordinates_db_code        1HA3 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
MAU C2   C2   C 0 1 Y N N 29.428 -10.515 10.691 ? ? ? C2   MAU 1   
MAU C3   C3   C 0 1 Y N N 28.786 -11.773 10.962 ? ? ? C3   MAU 2   
MAU C4   C4   C 0 1 Y N N 27.452 -11.751 11.500 ? ? ? C4   MAU 3   
MAU C5   C5   C 0 1 Y N N 26.810 -10.515 11.753 ? ? ? C5   MAU 4   
MAU C6   C6   C 0 1 Y N N 27.512 -9.313  11.462 ? ? ? C6   MAU 5   
MAU C7   C7   C 0 1 N N N 29.498 -13.068 10.692 ? ? ? C7   MAU 6   
MAU C8   C8   C 0 1 N N N 29.967 -13.971 11.815 ? ? ? C8   MAU 7   
MAU C20  C20  C 0 1 N N S 33.713 -11.813 21.323 ? ? ? C20  MAU 8   
MAU C21  C21  C 0 1 N N N 34.083 -10.387 21.749 ? ? ? C21  MAU 9   
MAU C24  C24  C 0 1 N N N 35.505 -7.417  20.073 ? ? ? C24  MAU 10  
MAU C25  C25  C 0 1 N N N 35.984 -6.000  20.298 ? ? ? C25  MAU 11  
MAU O4   O4   O 0 1 N N N 26.809 -12.909 11.779 ? ? ? O4   MAU 12  
MAU O7   O7   O 0 1 N N N 29.691 -13.391 9.515  ? ? ? O7   MAU 13  
MAU C9   C9   C 0 1 N N N 29.690 -13.626 13.119 ? ? ? C9   MAU 14  
MAU C10  C10  C 0 1 N N N 30.070 -14.403 14.305 ? ? ? C10  MAU 15  
MAU C11  C11  C 0 1 N N N 30.131 -13.753 15.477 ? ? ? C11  MAU 16  
MAU C12  C12  C 0 1 N N N 30.493 -14.443 16.706 ? ? ? C12  MAU 17  
MAU C13  C13  C 0 1 N N N 30.605 -13.739 17.841 ? ? ? C13  MAU 18  
MAU C14  C14  C 0 1 N N R 30.993 -14.411 19.147 ? ? ? C14  MAU 19  
MAU C15  C15  C 0 1 N N R 29.835 -14.515 20.183 ? ? ? C15  MAU 20  
MAU C16  C16  C 0 1 N N S 30.638 -14.346 21.472 ? ? ? C16  MAU 21  
MAU C17  C17  C 0 1 N N S 31.953 -13.629 20.989 ? ? ? C17  MAU 22  
MAU C19  C19  C 0 1 N N R 32.199 -12.192 21.626 ? ? ? C19  MAU 23  
MAU C22  C22  C 0 1 N N N 34.591 -9.548  20.794 ? ? ? C22  MAU 24  
MAU C23  C23  C 0 1 N N N 35.007 -8.168  21.076 ? ? ? C23  MAU 25  
MAU O15  O15  O 0 1 N N N 28.934 -13.395 20.056 ? ? ? O15  MAU 26  
MAU N1   N1   N 0 1 Y N N 28.773 -9.338  10.950 ? ? ? N1   MAU 27  
MAU C40  C40  C 0 1 N N N 29.433 -8.053  10.676 ? ? ? C40  MAU 28  
MAU O2   O2   O 0 1 N N N 30.612 -10.503 10.212 ? ? ? O2   MAU 29  
MAU C41  C41  C 0 1 N N N 30.750 -15.233 11.471 ? ? ? C41  MAU 30  
MAU O16  O16  O 0 1 N N N 29.925 -13.590 22.467 ? ? ? O16  MAU 31  
MAU O18  O18  O 0 1 N N N 31.991 -13.552 19.789 ? ? ? O18  MAU 32  
MAU C42  C42  C 0 1 N N N 31.226 -11.127 20.979 ? ? ? C42  MAU 33  
MAU O20  O20  O 0 1 N N N 34.581 -12.730 22.049 ? ? ? O20  MAU 34  
MAU C43  C43  C 0 1 N N N 35.688 -13.151 21.222 ? ? ? C43  MAU 35  
MAU C44  C44  C 0 1 N N N 33.904 -9.941  23.204 ? ? ? C44  MAU 36  
MAU N26  N26  N 0 1 N N N 35.410 -5.447  21.513 ? ? ? N26  MAU 37  
MAU C27  C27  C 0 1 N N N 36.217 -4.817  22.498 ? ? ? C27  MAU 38  
MAU O27  O27  O 0 1 N N N 37.454 -4.794  22.366 ? ? ? O27  MAU 39  
MAU C45  C45  C 0 1 N N N 36.001 -4.964  25.079 ? ? ? C45  MAU 40  
MAU C46  C46  C 0 1 N N N 35.931 -6.429  24.925 ? ? ? C46  MAU 41  
MAU C28  C28  C 0 1 N N R 35.542 -4.235  23.741 ? ? ? C28  MAU 42  
MAU C29  C29  C 0 1 N N R 35.890 -2.670  23.835 ? ? ? C29  MAU 43  
MAU O29  O29  O 0 1 N N N 37.341 -2.523  23.910 ? ? ? O29  MAU 44  
MAU C30  C30  C 0 1 N N R 35.285 -2.015  25.052 ? ? ? C30  MAU 45  
MAU O30  O30  O 0 1 N N N 34.138 -2.147  25.054 ? ? ? O30  MAU 46  
MAU C31  C31  C 0 1 N N R 35.593 -0.545  24.889 ? ? ? C31  MAU 47  
MAU O31  O31  O 0 1 N N N 35.130 0.240   25.962 ? ? ? O31  MAU 48  
MAU C32  C32  C 0 1 N N N 35.122 0.030   23.523 ? ? ? C32  MAU 49  
MAU C47  C47  C 0 1 N N N 33.587 0.061   23.406 ? ? ? C47  MAU 50  
MAU C48  C48  C 0 1 N N N 35.614 1.461   23.407 ? ? ? C48  MAU 51  
MAU C33  C33  C 0 1 N N S 35.741 -0.872  22.468 ? ? ? C33  MAU 52  
MAU O34  O34  O 0 1 N N N 35.509 -2.048  22.640 ? ? ? O34  MAU 53  
MAU C35  C35  C 0 1 N N N 35.365 -0.579  21.047 ? ? ? C35  MAU 54  
MAU C36  C36  C 0 1 N N N 34.556 -1.377  20.291 ? ? ? C36  MAU 55  
MAU C37  C37  C 0 1 N N N 34.260 -1.032  18.943 ? ? ? C37  MAU 56  
MAU C38  C38  C 0 1 N N N 33.555 -1.845  18.103 ? ? ? C38  MAU 57  
MAU C39  C39  C 0 1 N N N 33.018 -3.205  18.521 ? ? ? C39  MAU 58  
MAU HC5  5HC  H 0 1 N N N 25.788 -10.485 12.167 ? ? ? HC5  MAU 59  
MAU HC6  6HC  H 0 1 N N N 27.025 -8.342  11.655 ? ? ? HC6  MAU 60  
MAU HC02 2HC0 H 0 0 N N N 33.902 -11.925 20.230 ? ? ? HC02 MAU 61  
MAU HC42 2HC4 H 0 0 N N N 35.565 -7.848  19.060 ? ? ? HC42 MAU 62  
MAU H251 1H25 H 0 0 N N N 35.782 -5.351  19.414 ? ? ? H251 MAU 63  
MAU H252 2H25 H 0 0 N N N 37.097 -5.937  20.302 ? ? ? H252 MAU 64  
MAU HO4  4HO  H 0 1 N N N 25.928 -12.894 12.134 ? ? ? HO4  MAU 65  
MAU HC9  9HC  H 0 1 N N N 29.136 -12.687 13.286 ? ? ? HC9  MAU 66  
MAU HC01 1HC0 H 0 0 N N N 30.297 -15.480 14.235 ? ? ? HC01 MAU 67  
MAU HC11 1HC1 H 0 0 N N N 29.902 -12.675 15.510 ? ? ? HC11 MAU 68  
MAU HC21 1HC2 H 0 0 N N N 30.673 -15.531 16.704 ? ? ? HC21 MAU 69  
MAU HC31 1HC3 H 0 0 N N N 30.412 -12.653 17.827 ? ? ? HC31 MAU 70  
MAU HC41 1HC4 H 0 0 N N N 31.424 -15.420 18.948 ? ? ? HC41 MAU 71  
MAU HC51 1HC5 H 0 0 N N N 29.306 -15.495 20.135 ? ? ? HC51 MAU 72  
MAU HC61 1HC6 H 0 0 N N N 30.894 -15.350 21.883 ? ? ? HC61 MAU 73  
MAU HC71 1HC7 H 0 0 N N N 32.808 -14.273 21.301 ? ? ? HC71 MAU 74  
MAU HC91 1HC9 H 0 0 N N N 32.034 -12.234 22.728 ? ? ? HC91 MAU 75  
MAU HC22 2HC2 H 0 0 N N N 34.693 -9.927  19.763 ? ? ? HC22 MAU 76  
MAU HC32 2HC3 H 0 0 N N N 34.913 -7.752  22.093 ? ? ? HC32 MAU 77  
MAU HO51 1HO5 H 0 0 N N N 28.228 -13.458 20.688 ? ? ? HO51 MAU 78  
MAU H401 1H40 H 0 0 N N N 28.901 -7.096  10.887 ? ? ? H401 MAU 79  
MAU H402 2H40 H 0 0 N N N 29.762 -8.046  9.611  ? ? ? H402 MAU 80  
MAU H403 3H40 H 0 0 N N N 30.411 -8.038  11.212 ? ? ? H403 MAU 81  
MAU H411 1H41 H 0 0 N N N 31.095 -15.897 12.297 ? ? ? H411 MAU 82  
MAU H412 2H41 H 0 0 N N N 31.629 -14.951 10.846 ? ? ? H412 MAU 83  
MAU H413 3H41 H 0 0 N N N 30.155 -15.839 10.748 ? ? ? H413 MAU 84  
MAU HO61 1HO6 H 0 0 N N N 30.424 -13.485 23.268 ? ? ? HO61 MAU 85  
MAU H421 1H42 H 0 0 N N N 30.164 -11.393 21.191 ? ? ? H421 MAU 86  
MAU H422 2H42 H 0 0 N N N 31.413 -11.003 19.887 ? ? ? H422 MAU 87  
MAU H423 3H42 H 0 0 N N N 31.468 -10.089 21.307 ? ? ? H423 MAU 88  
MAU H431 1H43 H 0 0 N N N 36.353 -13.853 21.778 ? ? ? H431 MAU 89  
MAU H432 2H43 H 0 0 N N N 36.255 -12.281 20.816 ? ? ? H432 MAU 90  
MAU H433 3H43 H 0 0 N N N 35.340 -13.589 20.258 ? ? ? H433 MAU 91  
MAU H441 1H44 H 0 0 N N N 34.173 -8.904  23.514 ? ? ? H441 MAU 92  
MAU H442 2H44 H 0 0 N N N 34.454 -10.656 23.859 ? ? ? H442 MAU 93  
MAU H443 3H44 H 0 0 N N N 32.846 -10.132 23.501 ? ? ? H443 MAU 94  
MAU HN62 2HN6 H 0 0 N N N 34.403 -5.513  21.662 ? ? ? HN62 MAU 95  
MAU H451 1H45 H 0 0 N N N 35.417 -4.613  25.962 ? ? ? H451 MAU 96  
MAU H452 2H45 H 0 0 N N N 37.014 -4.631  25.404 ? ? ? H452 MAU 97  
MAU H461 1H46 H 0 0 N N N 36.253 -6.940  25.862 ? ? ? H461 MAU 98  
MAU H462 2H46 H 0 0 N N N 36.515 -6.780  24.042 ? ? ? H462 MAU 99  
MAU H463 3H46 H 0 0 N N N 34.918 -6.762  24.600 ? ? ? H463 MAU 100 
MAU HC82 2HC8 H 0 0 N N N 34.438 -4.349  23.634 ? ? ? HC82 MAU 101 
MAU HO92 2HO9 H 0 0 N N N 37.547 -1.597  23.966 ? ? ? HO92 MAU 102 
MAU H30  H30  H 0 1 N N N 35.687 -2.454  25.995 ? ? ? H30  MAU 103 
MAU HO3  3HO  H 0 1 N N N 33.757 -1.735  25.820 ? ? ? HO3  MAU 104 
MAU HC13 3HC1 H 0 0 N N N 36.704 -0.458  24.897 ? ? ? HC13 MAU 105 
MAU HO13 3HO1 H 0 0 N N N 35.324 1.164   25.860 ? ? ? HO13 MAU 106 
MAU H471 1H47 H 0 0 N N N 33.249 0.473   22.427 ? ? ? H471 MAU 107 
MAU H472 2H47 H 0 0 N N N 33.128 0.615   24.258 ? ? ? H472 MAU 108 
MAU H473 3H47 H 0 0 N N N 33.147 -0.946  23.594 ? ? ? H473 MAU 109 
MAU H481 1H48 H 0 0 N N N 35.276 1.873   22.428 ? ? ? H481 MAU 110 
MAU H482 2H48 H 0 0 N N N 36.716 1.547   23.550 ? ? ? H482 MAU 111 
MAU H483 3H48 H 0 0 N N N 35.298 2.093   24.269 ? ? ? H483 MAU 112 
MAU HC33 3HC3 H 0 0 N N N 36.846 -0.746  22.543 ? ? ? HC33 MAU 113 
MAU HC53 3HC5 H 0 0 N N N 35.767 0.338   20.584 ? ? ? HC53 MAU 114 
MAU HC63 3HC6 H 0 0 N N N 34.129 -2.295  20.728 ? ? ? HC63 MAU 115 
MAU HC73 3HC7 H 0 0 N N N 34.617 -0.062  18.558 ? ? ? HC73 MAU 116 
MAU HC83 3HC8 H 0 0 N N N 33.366 -1.499  17.073 ? ? ? HC83 MAU 117 
MAU H391 1H39 H 0 0 N N N 32.442 -3.869  17.835 ? ? ? H391 MAU 118 
MAU H392 2H39 H 0 0 N N N 32.397 -3.052  19.434 ? ? ? H392 MAU 119 
MAU H393 3H39 H 0 0 N N N 33.878 -3.796  18.913 ? ? ? H393 MAU 120 
# 
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 
MAU C2  C3   SING Y N 1   
MAU C2  N1   SING Y N 2   
MAU C2  O2   DOUB N N 3   
MAU C3  C4   DOUB Y N 4   
MAU C3  C7   SING N N 5   
MAU C4  C5   SING Y N 6   
MAU C4  O4   SING N N 7   
MAU C5  C6   DOUB Y N 8   
MAU C5  HC5  SING N N 9   
MAU C6  N1   SING Y N 10  
MAU C6  HC6  SING N N 11  
MAU C7  C8   SING N N 12  
MAU C7  O7   DOUB N N 13  
MAU C8  C9   DOUB N E 14  
MAU C8  C41  SING N N 15  
MAU C20 C21  SING N N 16  
MAU C20 C19  SING N N 17  
MAU C20 O20  SING N N 18  
MAU C20 HC02 SING N N 19  
MAU C21 C22  DOUB N E 20  
MAU C21 C44  SING N N 21  
MAU C24 C25  SING N N 22  
MAU C24 C23  DOUB N E 23  
MAU C24 HC42 SING N N 24  
MAU C25 N26  SING N N 25  
MAU C25 H251 SING N N 26  
MAU C25 H252 SING N N 27  
MAU O4  HO4  SING N N 28  
MAU C9  C10  SING N N 29  
MAU C9  HC9  SING N N 30  
MAU C10 C11  DOUB N E 31  
MAU C10 HC01 SING N N 32  
MAU C11 C12  SING N N 33  
MAU C11 HC11 SING N N 34  
MAU C12 C13  DOUB N E 35  
MAU C12 HC21 SING N N 36  
MAU C13 C14  SING N N 37  
MAU C13 HC31 SING N N 38  
MAU C14 C15  SING N N 39  
MAU C14 O18  SING N N 40  
MAU C14 HC41 SING N N 41  
MAU C15 C16  SING N N 42  
MAU C15 O15  SING N N 43  
MAU C15 HC51 SING N N 44  
MAU C16 C17  SING N N 45  
MAU C16 O16  SING N N 46  
MAU C16 HC61 SING N N 47  
MAU C17 C19  SING N N 48  
MAU C17 O18  SING N N 49  
MAU C17 HC71 SING N N 50  
MAU C19 C42  SING N N 51  
MAU C19 HC91 SING N N 52  
MAU C22 C23  SING N N 53  
MAU C22 HC22 SING N N 54  
MAU C23 HC32 SING N N 55  
MAU O15 HO51 SING N N 56  
MAU N1  C40  SING N N 57  
MAU C40 H401 SING N N 58  
MAU C40 H402 SING N N 59  
MAU C40 H403 SING N N 60  
MAU C41 H411 SING N N 61  
MAU C41 H412 SING N N 62  
MAU C41 H413 SING N N 63  
MAU O16 HO61 SING N N 64  
MAU C42 H421 SING N N 65  
MAU C42 H422 SING N N 66  
MAU C42 H423 SING N N 67  
MAU O20 C43  SING N N 68  
MAU C43 H431 SING N N 69  
MAU C43 H432 SING N N 70  
MAU C43 H433 SING N N 71  
MAU C44 H441 SING N N 72  
MAU C44 H442 SING N N 73  
MAU C44 H443 SING N N 74  
MAU N26 C27  SING N N 75  
MAU N26 HN62 SING N N 76  
MAU C27 O27  DOUB N N 77  
MAU C27 C28  SING N N 78  
MAU C45 C46  SING N N 79  
MAU C45 C28  SING N N 80  
MAU C45 H451 SING N N 81  
MAU C45 H452 SING N N 82  
MAU C46 H461 SING N N 83  
MAU C46 H462 SING N N 84  
MAU C46 H463 SING N N 85  
MAU C28 C29  SING N N 86  
MAU C28 HC82 SING N N 87  
MAU C29 O29  SING N N 88  
MAU C29 C30  SING N N 89  
MAU C29 O34  SING N N 90  
MAU O29 HO92 SING N N 91  
MAU C30 O30  SING N N 92  
MAU C30 C31  SING N N 93  
MAU C30 H30  SING N N 94  
MAU O30 HO3  SING N N 95  
MAU C31 O31  SING N N 96  
MAU C31 C32  SING N N 97  
MAU C31 HC13 SING N N 98  
MAU O31 HO13 SING N N 99  
MAU C32 C47  SING N N 100 
MAU C32 C48  SING N N 101 
MAU C32 C33  SING N N 102 
MAU C47 H471 SING N N 103 
MAU C47 H472 SING N N 104 
MAU C47 H473 SING N N 105 
MAU C48 H481 SING N N 106 
MAU C48 H482 SING N N 107 
MAU C48 H483 SING N N 108 
MAU C33 O34  SING N N 109 
MAU C33 C35  SING N N 110 
MAU C33 HC33 SING N N 111 
MAU C35 C36  DOUB N E 112 
MAU C35 HC53 SING N N 113 
MAU C36 C37  SING N N 114 
MAU C36 HC63 SING N N 115 
MAU C37 C38  DOUB N Z 116 
MAU C37 HC73 SING N N 117 
MAU C38 C39  SING N N 118 
MAU C38 HC83 SING N N 119 
MAU C39 H391 SING N N 120 
MAU C39 H392 SING N N 121 
MAU C39 H393 SING N N 122 
# 
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 
MAU SMILES           ACDLabs              10.04 O=C1N(C=CC(O)=C1C(=O)\C(=C\C=C\C=C\C2OC(C(O)C2O)C(C)C(OC)C(=C\C=C\CNC(=O)C(CC)C3(O)OC(\C=C\C=C/C)C(C(O)C3O)(C)C)\C)C)C 
MAU InChI            InChI                1.02b 
;InChI=1/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31-,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1/f/h45H
;
MAU InChIKey         InChI                1.02b NTAHMPNXQOYXSX-ZNDXSDLLDV 
MAU SMILES_CANONICAL CACTVS               3.341 CC[C@H](C(=O)NC/C=C/C=C(C)/[C@@H](OC)[C@@H](C)[C@@H]1O[C@H](/C=C/C=C/C=C(C)/C(=O)C2=C(O)C=CN(C)C2=O)[C@H](O)[C@@H]1O)[C@@]3(O)O[C@@H](\C=C\C=C/C)C(C)(C)[C@@H](O)[C@H]3O 
MAU SMILES           CACTVS               3.341 CC[CH](C(=O)NCC=CC=C(C)[CH](OC)[CH](C)[CH]1O[CH](C=CC=CC=C(C)C(=O)C2=C(O)C=CN(C)C2=O)[CH](O)[CH]1O)[C]3(O)O[CH](C=CC=CC)C(C)(C)[CH](O)[CH]3O 
MAU SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC[C@H](C(=O)NC\C=C\C=C(/C)\[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)\C=C\C=C\C=C(/C)\C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)\C=C\C=C/C)(C)C)O)O)O 
MAU SMILES           "OpenEye OEToolkits" 1.5.0 CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O 
# 
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 
MAU "SYSTEMATIC NAME" ACDLabs              10.04 
;(2S)-N-[(2E,4E,6S,7R)-7-{(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)-6-methyl-7-oxohepta-1,3,5-trien-1-yl]tetrahydrofuran-2-yl}-6-methoxy-5-methylocta-2,4-dien-1-yl]-2-{(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dien-1-yl]tetrahydro-2H-pyran-2-yl}butanamide (non-preferred name)
;
MAU "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;(2S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(1E,3E,5E)-7-(4-hydroxy-1-methyl-2-oxo-pyridin-3-yl)-6-methyl-7-oxo-hepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methyl-octa-2,4-dienyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]oxan-2-yl]butanamide
;
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