data_A1L1F
# 
_chem_comp.id                                    A1L1F 
_chem_comp.name                                  "[(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E})-17-[(4~{S},6~{R})-4-acetyloxy-2,2,6-trimethyl-6-oxidanyl-cyclohexylidene]-6,11,15-trimethyl-2-[(~{E})-2-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] octanoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C50 H72 O7" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-05-03 
_chem_comp.pdbx_modified_date                    2025-11-28 
_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                        785.102 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1L1F 
_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        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
_chem_comp.pdbx_pcm                              ? 
# 
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.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
A1L1F C8  C1  C 0 1 N N S N N N ? ? ? 14.512  0.693   -0.194 C8  A1L1F 1   
A1L1F C5  C2  C 0 1 N N N N N N ? ? ? 12.105  -0.133  2.694  C5  A1L1F 2   
A1L1F C4  C3  C 0 1 N N N N N N ? ? ? 13.611  0.219   -1.335 C4  A1L1F 3   
A1L1F C6  C4  C 0 1 N N N N N N ? ? ? 13.055  -0.390  1.523  C6  A1L1F 4   
A1L1F C10 C5  C 0 1 N N N N N N ? ? ? 11.979  -1.544  -2.038 C10 A1L1F 5   
A1L1F C11 C6  C 0 1 N N R N N N ? ? ? 12.989  -1.132  -0.965 C11 A1L1F 6   
A1L1F C2  C7  C 0 1 N N N N N N ? ? ? 9.805   -1.758  0.662  C2  A1L1F 7   
A1L1F C3  C8  C 0 1 N N N N N N ? ? ? 13.674  0.934   1.062  C3  A1L1F 8   
A1L1F C1  C9  C 0 1 N N N N N N ? ? ? 12.286  -0.989  0.366  C1  A1L1F 9   
A1L1F C12 C10 C 0 1 N N N N N N ? ? ? 14.162  -1.350  1.961  C12 A1L1F 10  
A1L1F C14 C11 C 0 1 N N N N N N ? ? ? -8.962  2.118   0.091  C14 A1L1F 11  
A1L1F C17 C12 C 0 1 N N N N N N ? ? ? -10.902 1.064   -1.779 C17 A1L1F 12  
A1L1F C18 C13 C 0 1 N N N N N N ? ? ? -10.078 5.478   0.198  C18 A1L1F 13  
A1L1F C19 C14 C 0 1 N N N N N N ? ? ? -9.710  3.817   2.026  C19 A1L1F 14  
A1L1F C20 C15 C 0 1 N N R N N N ? ? ? -11.129 2.490   -1.275 C20 A1L1F 15  
A1L1F C21 C16 C 0 1 N N N N N N ? ? ? -12.589 2.887   -1.117 C21 A1L1F 16  
A1L1F C22 C17 C 0 1 N N S N N N ? ? ? -12.706 4.202   -0.346 C22 A1L1F 17  
A1L1F C23 C18 C 0 1 N N N N N N ? ? ? -11.968 4.054   0.990  C23 A1L1F 18  
A1L1F C24 C19 C 0 1 N N N N N N ? ? ? -10.463 4.094   0.723  C24 A1L1F 19  
A1L1F C25 C20 C 0 1 N N S N N N ? ? ? -10.097 3.031   -0.297 C25 A1L1F 20  
A1L1F C26 C21 C 0 1 N N N N N N ? ? ? -6.920  0.304   0.877  C26 A1L1F 21  
A1L1F C27 C22 C 0 1 N N N N N N ? ? ? -2.252  -0.817  0.700  C27 A1L1F 22  
A1L1F C28 C23 C 0 1 N N N N N N ? ? ? 4.389   1.449   -0.152 C28 A1L1F 23  
A1L1F C29 C24 C 0 1 N N N N N N ? ? ? -7.698  2.478   -0.162 C29 A1L1F 24  
A1L1F C30 C25 C 0 1 N N N N N N ? ? ? -6.632  1.621   0.203  C30 A1L1F 25  
A1L1F C31 C26 C 0 1 N N N N N N ? ? ? -5.345  1.987   -0.055 C31 A1L1F 26  
A1L1F C32 C27 C 0 1 N N N N N N ? ? ? -4.299  1.086   0.186  C32 A1L1F 27  
A1L1F C33 C28 C 0 1 N N N N N N ? ? ? -2.989  1.492   0.031  C33 A1L1F 28  
A1L1F C34 C29 C 0 1 N N N N N N ? ? ? -1.947  0.595   0.271  C34 A1L1F 29  
A1L1F C35 C30 C 0 1 N N N N N N ? ? ? -0.632  1.003   0.114  C35 A1L1F 30  
A1L1F C36 C31 C 0 1 N N N N N N ? ? ? 0.407   0.109   0.353  C36 A1L1F 31  
A1L1F C37 C32 C 0 1 N N N N N N ? ? ? 1.726   0.518   0.196  C37 A1L1F 32  
A1L1F C38 C33 C 0 1 N N N N N N ? ? ? 2.761   -0.373  0.435  C38 A1L1F 33  
A1L1F C39 C34 C 0 1 N N N N N N ? ? ? 4.084   0.037   0.277  C39 A1L1F 34  
A1L1F C40 C35 C 0 1 N N N N N N ? ? ? 5.115   -0.850  0.515  C40 A1L1F 35  
A1L1F C41 C36 C 0 1 N N N N N N ? ? ? 6.445   -0.438  0.357  C41 A1L1F 36  
A1L1F C42 C37 C 0 1 N N N N N N ? ? ? 7.463   -1.314  0.591  C42 A1L1F 37  
A1L1F C43 C38 C 0 1 N N N N N N ? ? ? 9.111   0.514   0.002  C43 A1L1F 38  
A1L1F C44 C39 C 0 1 N N N N N N ? ? ? 8.806   -0.898  0.431  C44 A1L1F 39  
A1L1F C45 C40 C 0 1 N N N N N N ? ? ? -8.018  -1.763  0.426  C45 A1L1F 40  
A1L1F C47 C41 C 0 1 N N N N N N ? ? ? -8.805  -2.700  -0.453 C47 A1L1F 41  
A1L1F C48 C42 C 0 1 N N N N N N ? ? ? -9.059  -4.010  0.295  C48 A1L1F 42  
A1L1F C49 C43 C 0 1 N N N N N N ? ? ? -9.857  -4.961  -0.598 C49 A1L1F 43  
A1L1F C50 C44 C 0 1 N N N N N N ? ? ? -10.111 -6.271  0.150  C50 A1L1F 44  
A1L1F C51 C45 C 0 1 N N N N N N ? ? ? -10.910 -7.223  -0.743 C51 A1L1F 45  
A1L1F C52 C46 C 0 1 N N N N N N ? ? ? -11.163 -8.533  0.006  C52 A1L1F 46  
A1L1F C53 C47 C 0 1 N N N N N N ? ? ? -11.962 -9.484  -0.888 C53 A1L1F 47  
A1L1F C54 C48 C 0 1 N N N N N N ? ? ? 16.350  1.821   -1.208 C54 A1L1F 48  
A1L1F C56 C49 C 0 1 N N N N N N ? ? ? 17.090  3.061   -1.640 C56 A1L1F 49  
A1L1F C57 C50 C 0 1 N N R N N N ? ? ? 11.045  -1.374  0.514  C57 A1L1F 50  
A1L1F O13 O1  O 0 1 N N N N N N ? ? ? -7.678  -0.545  -0.025 O13 A1L1F 51  
A1L1F O15 O2  O 0 1 N N N N N N ? ? ? -10.165 3.457   -1.667 O15 A1L1F 52  
A1L1F O16 O3  O 0 1 N N N N N N ? ? ? -14.083 4.495   -0.103 O16 A1L1F 53  
A1L1F O46 O4  O 0 1 N N N N N N ? ? ? -7.694  -2.107  1.538  O46 A1L1F 54  
A1L1F O55 O5  O 0 1 N N N N N N ? ? ? 16.821  0.730   -1.426 O55 A1L1F 55  
A1L1F O7  O6  O 0 1 N N N N N N ? ? ? 15.168  1.929   -0.581 O7  A1L1F 56  
A1L1F O9  O7  O 0 1 N N N N N N ? ? ? 14.015  -2.122  -0.866 O9  A1L1F 57  
A1L1F H1  H1  H 0 1 N N N N N N ? ? ? 15.265  -0.068  0.012  H1  A1L1F 58  
A1L1F H2  H2  H 0 1 N N N N N N ? ? ? 11.313  0.546   2.377  H2  A1L1F 59  
A1L1F H3  H3  H 0 1 N N N N N N ? ? ? 11.665  -1.076  3.020  H3  A1L1F 60  
A1L1F H4  H4  H 0 1 N N N N N N ? ? ? 12.658  0.314   3.520  H4  A1L1F 61  
A1L1F H5  H5  H 0 1 N N N N N N ? ? ? 12.819  0.950   -1.502 H5  A1L1F 62  
A1L1F H6  H6  H 0 1 N N N N N N ? ? ? 14.202  0.109   -2.245 H6  A1L1F 63  
A1L1F H7  H7  H 0 1 N N N N N N ? ? ? 12.485  -1.630  -3.000 H7  A1L1F 64  
A1L1F H8  H8  H 0 1 N N N N N N ? ? ? 11.538  -2.505  -1.772 H8  A1L1F 65  
A1L1F H9  H9  H 0 1 N N N N N N ? ? ? 11.194  -0.791  -2.106 H9  A1L1F 66  
A1L1F H10 H10 H 0 1 N N N N N N ? ? ? 9.586   -2.770  0.970  H10 A1L1F 67  
A1L1F H11 H11 H 0 1 N N N N N N ? ? ? 14.311  1.332   1.853  H11 A1L1F 68  
A1L1F H12 H12 H 0 1 N N N N N N ? ? ? 12.882  1.648   0.840  H12 A1L1F 69  
A1L1F H13 H13 H 0 1 N N N N N N ? ? ? 13.720  -2.293  2.282  H13 A1L1F 70  
A1L1F H14 H14 H 0 1 N N N N N N ? ? ? 14.838  -1.532  1.125  H14 A1L1F 71  
A1L1F H15 H15 H 0 1 N N N N N N ? ? ? 14.719  -0.910  2.789  H15 A1L1F 72  
A1L1F H16 H16 H 0 1 N N N N N N ? ? ? -9.169  1.175   0.574  H16 A1L1F 73  
A1L1F H17 H17 H 0 1 N N N N N N ? ? ? -9.922  0.997   -2.252 H17 A1L1F 74  
A1L1F H18 H18 H 0 1 N N N N N N ? ? ? -10.948 0.369   -0.940 H18 A1L1F 75  
A1L1F H19 H19 H 0 1 N N N N N N ? ? ? -11.674 0.808   -2.506 H19 A1L1F 76  
A1L1F H20 H20 H 0 1 N N N N N N ? ? ? -9.004  5.510   0.012  H20 A1L1F 77  
A1L1F H21 H21 H 0 1 N N N N N N ? ? ? -10.613 5.677   -0.730 H21 A1L1F 78  
A1L1F H22 H22 H 0 1 N N N N N N ? ? ? -10.340 6.233   0.939  H22 A1L1F 79  
A1L1F H23 H23 H 0 1 N N N N N N ? ? ? -9.973  4.573   2.765  H23 A1L1F 80  
A1L1F H24 H24 H 0 1 N N N N N N ? ? ? -9.983  2.831   2.401  H24 A1L1F 81  
A1L1F H25 H25 H 0 1 N N N N N N ? ? ? -8.637  3.849   1.839  H25 A1L1F 82  
A1L1F H26 H26 H 0 1 N N N N N N ? ? ? -13.037 3.007   -2.103 H26 A1L1F 83  
A1L1F H27 H27 H 0 1 N N N N N N ? ? ? -13.118 2.104   -0.575 H27 A1L1F 84  
A1L1F H28 H28 H 0 1 N N N N N N ? ? ? -12.257 5.008   -0.927 H28 A1L1F 85  
A1L1F H29 H29 H 0 1 N N N N N N ? ? ? -12.244 4.874   1.653  H29 A1L1F 86  
A1L1F H30 H30 H 0 1 N N N N N N ? ? ? -12.236 3.104   1.452  H30 A1L1F 87  
A1L1F H31 H31 H 0 1 N N N N N N ? ? ? -5.981  -0.186  1.134  H31 A1L1F 88  
A1L1F H32 H32 H 0 1 N N N N N N ? ? ? -7.499  0.479   1.784  H32 A1L1F 89  
A1L1F H33 H33 H 0 1 N N N N N N ? ? ? -2.352  -1.451  -0.181 H33 A1L1F 90  
A1L1F H34 H34 H 0 1 N N N N N N ? ? ? -1.441  -1.189  1.326  H34 A1L1F 91  
A1L1F H35 H35 H 0 1 N N N N N N ? ? ? -3.184  -0.831  1.266  H35 A1L1F 92  
A1L1F H36 H36 H 0 1 N N N N N N ? ? ? 4.489   2.083   0.729  H36 A1L1F 93  
A1L1F H37 H37 H 0 1 N N N N N N ? ? ? 5.321   1.464   -0.717 H37 A1L1F 94  
A1L1F H38 H38 H 0 1 N N N N N N ? ? ? 3.579   1.822   -0.778 H38 A1L1F 95  
A1L1F H39 H39 H 0 1 N N N N N N ? ? ? -7.491  3.421   -0.645 H39 A1L1F 96  
A1L1F H40 H40 H 0 1 N N N N N N ? ? ? -5.131  2.971   -0.445 H40 A1L1F 97  
A1L1F H41 H41 H 0 1 N N N N N N ? ? ? -4.517  0.074   0.494  H41 A1L1F 98  
A1L1F H42 H42 H 0 1 N N N N N N ? ? ? -2.770  2.504   -0.277 H42 A1L1F 99  
A1L1F H43 H43 H 0 1 N N N N N N ? ? ? -0.413  2.015   -0.194 H43 A1L1F 100 
A1L1F H44 H44 H 0 1 N N N N N N ? ? ? 0.188   -0.903  0.661  H44 A1L1F 101 
A1L1F H45 H45 H 0 1 N N N N N N ? ? ? 1.944   1.530   -0.111 H45 A1L1F 102 
A1L1F H46 H46 H 0 1 N N N N N N ? ? ? 2.542   -1.385  0.743  H46 A1L1F 103 
A1L1F H47 H47 H 0 1 N N N N N N ? ? ? 4.897   -1.862  0.823  H47 A1L1F 104 
A1L1F H48 H48 H 0 1 N N N N N N ? ? ? 6.664   0.574   0.049  H48 A1L1F 105 
A1L1F H49 H49 H 0 1 N N N N N N ? ? ? 7.244   -2.326  0.899  H49 A1L1F 106 
A1L1F H50 H50 H 0 1 N N N N N N ? ? ? 9.158   0.561   -1.086 H50 A1L1F 107 
A1L1F H51 H51 H 0 1 N N N N N N ? ? ? 8.326   1.180   0.360  H51 A1L1F 108 
A1L1F H52 H52 H 0 1 N N N N N N ? ? ? 10.069  0.822   0.421  H52 A1L1F 109 
A1L1F H53 H53 H 0 1 N N N N N N ? ? ? -9.758  -2.240  -0.713 H53 A1L1F 110 
A1L1F H54 H54 H 0 1 N N N N N N ? ? ? -8.240  -2.904  -1.363 H54 A1L1F 111 
A1L1F H55 H55 H 0 1 N N N N N N ? ? ? -8.105  -4.470  0.555  H55 A1L1F 112 
A1L1F H56 H56 H 0 1 N N N N N N ? ? ? -9.623  -3.805  1.205  H56 A1L1F 113 
A1L1F H57 H57 H 0 1 N N N N N N ? ? ? -10.811 -4.501  -0.858 H57 A1L1F 114 
A1L1F H58 H58 H 0 1 N N N N N N ? ? ? -9.292  -5.166  -1.508 H58 A1L1F 115 
A1L1F H59 H59 H 0 1 N N N N N N ? ? ? -9.158  -6.732  0.411  H59 A1L1F 116 
A1L1F H60 H60 H 0 1 N N N N N N ? ? ? -10.676 -6.067  1.060  H60 A1L1F 117 
A1L1F H61 H61 H 0 1 N N N N N N ? ? ? -11.863 -6.762  -1.003 H61 A1L1F 118 
A1L1F H62 H62 H 0 1 N N N N N N ? ? ? -10.345 -7.427  -1.652 H62 A1L1F 119 
A1L1F H63 H63 H 0 1 N N N N N N ? ? ? -10.210 -8.993  0.266  H63 A1L1F 120 
A1L1F H64 H64 H 0 1 N N N N N N ? ? ? -11.728 -8.328  0.915  H64 A1L1F 121 
A1L1F H65 H65 H 0 1 N N N N N N ? ? ? -12.142 -10.417 -0.354 H65 A1L1F 122 
A1L1F H66 H66 H 0 1 N N N N N N ? ? ? -12.915 -9.024  -1.148 H66 A1L1F 123 
A1L1F H67 H67 H 0 1 N N N N N N ? ? ? -11.397 -9.689  -1.797 H67 A1L1F 124 
A1L1F H68 H68 H 0 1 N N N N N N ? ? ? 17.751  3.388   -0.837 H68 A1L1F 125 
A1L1F H69 H69 H 0 1 N N N N N N ? ? ? 17.679  2.841   -2.530 H69 A1L1F 126 
A1L1F H70 H70 H 0 1 N N N N N N ? ? ? 16.374  3.852   -1.865 H70 A1L1F 127 
A1L1F H71 H71 H 0 1 N N N N N N ? ? ? -14.613 4.589   -0.907 H71 A1L1F 128 
A1L1F H72 H72 H 0 1 N N N N N N ? ? ? 14.514  -2.254  -1.684 H72 A1L1F 129 
# 
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 
A1L1F O55 C54 DOUB N N 1   
A1L1F O9  C11 SING N N 2   
A1L1F C54 C56 SING N N 3   
A1L1F C54 O7  SING N N 4   
A1L1F C4  C11 SING N N 5   
A1L1F C4  C8  SING N N 6   
A1L1F C10 C11 SING N N 7   
A1L1F C11 C1  SING N N 8   
A1L1F O7  C8  SING N N 9   
A1L1F C8  C3  SING N N 10  
A1L1F C12 C6  SING N N 11  
A1L1F C1  C6  SING N N 12  
A1L1F C1  C57 DOUB N N 13  
A1L1F C3  C6  SING N N 14  
A1L1F C6  C5  SING N N 15  
A1L1F C57 C2  DOUB N N 16  
A1L1F C2  C44 SING N N 17  
A1L1F C44 C43 SING N N 18  
A1L1F C44 C42 DOUB N E 19  
A1L1F C42 C41 SING N N 20  
A1L1F C41 C40 DOUB N E 21  
A1L1F C40 C39 SING N N 22  
A1L1F C39 C38 DOUB N E 23  
A1L1F C39 C28 SING N N 24  
A1L1F C38 C37 SING N N 25  
A1L1F C37 C36 DOUB N E 26  
A1L1F C36 C35 SING N N 27  
A1L1F C27 C34 SING N N 28  
A1L1F C35 C34 DOUB N E 29  
A1L1F C34 C33 SING N N 30  
A1L1F C33 C32 DOUB N E 31  
A1L1F O46 C45 DOUB N N 32  
A1L1F C32 C31 SING N N 33  
A1L1F C45 C47 SING N N 34  
A1L1F C45 O13 SING N N 35  
A1L1F C26 O13 SING N N 36  
A1L1F C26 C30 SING N N 37  
A1L1F C31 C30 DOUB N Z 38  
A1L1F C47 C48 SING N N 39  
A1L1F C30 C29 SING N N 40  
A1L1F C48 C49 SING N N 41  
A1L1F C49 C50 SING N N 42  
A1L1F C29 C14 DOUB N E 43  
A1L1F C14 C25 SING N N 44  
A1L1F C50 C51 SING N N 45  
A1L1F C51 C52 SING N N 46  
A1L1F C17 C20 SING N N 47  
A1L1F C52 C53 SING N N 48  
A1L1F C25 C20 SING N N 49  
A1L1F C25 O15 SING N N 50  
A1L1F C25 C24 SING N N 51  
A1L1F C20 O15 SING N N 52  
A1L1F C20 C21 SING N N 53  
A1L1F C19 C24 SING N N 54  
A1L1F C24 C18 SING N N 55  
A1L1F C24 C23 SING N N 56  
A1L1F C21 C22 SING N N 57  
A1L1F C23 C22 SING N N 58  
A1L1F C22 O16 SING N N 59  
A1L1F C8  H1  SING N N 60  
A1L1F C5  H2  SING N N 61  
A1L1F C5  H3  SING N N 62  
A1L1F C5  H4  SING N N 63  
A1L1F C4  H5  SING N N 64  
A1L1F C4  H6  SING N N 65  
A1L1F C10 H7  SING N N 66  
A1L1F C10 H8  SING N N 67  
A1L1F C10 H9  SING N N 68  
A1L1F C2  H10 SING N N 69  
A1L1F C3  H11 SING N N 70  
A1L1F C3  H12 SING N N 71  
A1L1F C12 H13 SING N N 72  
A1L1F C12 H14 SING N N 73  
A1L1F C12 H15 SING N N 74  
A1L1F C14 H16 SING N N 75  
A1L1F C17 H17 SING N N 76  
A1L1F C17 H18 SING N N 77  
A1L1F C17 H19 SING N N 78  
A1L1F C18 H20 SING N N 79  
A1L1F C18 H21 SING N N 80  
A1L1F C18 H22 SING N N 81  
A1L1F C19 H23 SING N N 82  
A1L1F C19 H24 SING N N 83  
A1L1F C19 H25 SING N N 84  
A1L1F C21 H26 SING N N 85  
A1L1F C21 H27 SING N N 86  
A1L1F C22 H28 SING N N 87  
A1L1F C23 H29 SING N N 88  
A1L1F C23 H30 SING N N 89  
A1L1F C26 H31 SING N N 90  
A1L1F C26 H32 SING N N 91  
A1L1F C27 H33 SING N N 92  
A1L1F C27 H34 SING N N 93  
A1L1F C27 H35 SING N N 94  
A1L1F C28 H36 SING N N 95  
A1L1F C28 H37 SING N N 96  
A1L1F C28 H38 SING N N 97  
A1L1F C29 H39 SING N N 98  
A1L1F C31 H40 SING N N 99  
A1L1F C32 H41 SING N N 100 
A1L1F C33 H42 SING N N 101 
A1L1F C35 H43 SING N N 102 
A1L1F C36 H44 SING N N 103 
A1L1F C37 H45 SING N N 104 
A1L1F C38 H46 SING N N 105 
A1L1F C40 H47 SING N N 106 
A1L1F C41 H48 SING N N 107 
A1L1F C42 H49 SING N N 108 
A1L1F C43 H50 SING N N 109 
A1L1F C43 H51 SING N N 110 
A1L1F C43 H52 SING N N 111 
A1L1F C47 H53 SING N N 112 
A1L1F C47 H54 SING N N 113 
A1L1F C48 H55 SING N N 114 
A1L1F C48 H56 SING N N 115 
A1L1F C49 H57 SING N N 116 
A1L1F C49 H58 SING N N 117 
A1L1F C50 H59 SING N N 118 
A1L1F C50 H60 SING N N 119 
A1L1F C51 H61 SING N N 120 
A1L1F C51 H62 SING N N 121 
A1L1F C52 H63 SING N N 122 
A1L1F C52 H64 SING N N 123 
A1L1F C53 H65 SING N N 124 
A1L1F C53 H66 SING N N 125 
A1L1F C53 H67 SING N N 126 
A1L1F C56 H68 SING N N 127 
A1L1F C56 H69 SING N N 128 
A1L1F C56 H70 SING N N 129 
A1L1F O16 H71 SING N N 130 
A1L1F O9  H72 SING N N 131 
# 
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 
A1L1F InChI            InChI                1.06  "InChI=1S/C50H72O7/c1-12-13-14-15-16-27-45(53)55-36-41(30-31-50-47(8,9)32-42(52)33-49(50,11)57-50)26-20-25-38(3)22-18-17-21-37(2)23-19-24-39(4)28-29-44-46(6,7)34-43(56-40(5)51)35-48(44,10)54/h17-26,28,30-31,42-43,52,54H,12-16,27,32-36H2,1-11H3/b18-17+,23-19+,25-20+,31-30+,37-21+,38-22+,39-24+,41-26-/t29-,42-,43-,48+,49+,50-/m0/s1" 
A1L1F InChIKey         InChI                1.06  JYJFYJLLQQTZBJ-AYSGSIDZSA-N                                                                                                                                                                                                                                                                                                                  
A1L1F SMILES_CANONICAL CACTVS               3.385 "CCCCCCCC(=O)OCC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/[CH]=[C@]=[C]1C(C)(C)C[C@@H](C[C@@]1(C)O)OC(C)=O)\C=C\[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C"                                                                                                                                                                                                
A1L1F SMILES           CACTVS               3.385 "CCCCCCCC(=O)OCC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)[CH]=[C]=[C]1C(C)(C)C[CH](C[C]1(C)O)OC(C)=O)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C"                                                                                                                                                                                                                   
A1L1F SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCC(=O)OC/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C=C1[C@](C[C@H](CC1(C)C)OC(=O)C)(C)O)\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C"                                                                                                                                                                                                      
A1L1F SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCC(=O)OCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)O)OC(=O)C)(C)C)C)C=CC23C(CC(CC2(O3)C)O)(C)C"                                                                                                                                                                                                                                    
# 
_pdbx_chem_comp_identifier.comp_id           A1L1F 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "[(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E})-17-[(4~{S},6~{R})-4-acetyloxy-2,2,6-trimethyl-6-oxidanyl-cyclohexylidene]-6,11,15-trimethyl-2-[(~{E})-2-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]heptadeca-2,4,6,8,10,12,14,16-octaenyl] octanoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1L1F "Create component"   2024-05-03 PDBJ 
A1L1F "Modify coordinates" 2025-11-24 RCSB 
A1L1F "Initial release"    2025-12-03 RCSB 
# 
