data_E7B
# 
_chem_comp.id                                    E7B 
_chem_comp.name                                  
"(2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10R)-10-{(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C41 H68 O14" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2008-10-10 
_chem_comp.pdbx_modified_date                    2008-10-31 
_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                        784.970 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     E7B 
_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        3E7B 
_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 
E7B C1     C1     C 0 1 N N N -39.030 63.078 -25.248 5.251   -5.765 -1.994 C1     E7B 1   
E7B C2     C2     C 0 1 N N N -37.672 63.451 -24.690 5.964   -4.440 -1.916 C2     E7B 2   
E7B O3     O3     O 0 1 N N N -36.631 63.004 -25.171 5.484   -3.464 -2.441 O3     E7B 3   
E7B C3     C3     C 0 1 N N S -37.646 64.408 -23.508 7.277   -4.332 -1.185 C3     E7B 4   
E7B C30    C30    C 0 1 N N N -37.229 63.613 -22.274 8.427   -4.604 -2.157 C30    E7B 5   
E7B C4     C4     C 0 1 N N N -36.723 65.600 -23.804 7.424   -2.924 -0.604 C4     E7B 6   
E7B C5     C5     C 0 1 N N N -37.355 66.591 -24.810 8.696   -2.852 0.243  C5     E7B 7   
E7B C6     C6     C 0 1 N N S -36.347 67.700 -25.180 8.842   -1.444 0.824  C6     E7B 8   
E7B O2     O2     O 0 1 N N N -36.037 68.366 -23.904 9.041   -0.508 -0.237 O2     E7B 9   
E7B C7     C7     C 0 1 N N R -36.804 68.709 -26.270 10.045  -1.405 1.770  C7     E7B 10  
E7B C25    C25    C 0 1 N N N -37.042 68.070 -27.649 9.809   -2.362 2.939  C25    E7B 11  
E7B C8     C8     C 0 1 N N N -35.793 69.861 -26.396 10.220  0.022  2.301  C8     E7B 12  
E7B C9     C9     C 0 1 N N N -35.557 70.514 -25.021 10.381  0.979  1.116  C9     E7B 13  
E7B C10    C10    C 0 1 N N R -35.096 69.463 -23.997 9.166   0.848  0.194  C10    E7B 14  
E7B O1     O1     O 0 1 N N N -33.808 68.994 -24.433 7.987   1.235  0.901  O1     E7B 15  
E7B C11    C11    C 0 1 N N N -34.990 70.125 -22.610 9.352   1.756  -1.024 C11    E7B 16  
E7B C12    C12    C 0 1 N N N -34.145 69.309 -21.612 8.106   1.670  -1.911 C12    E7B 17  
E7B C13    C13    C 0 1 N N S -32.858 68.718 -22.221 6.876   2.052  -1.083 C13    E7B 18  
E7B C28    C28    C 0 1 N N N -31.700 69.727 -22.342 7.003   3.505  -0.620 C28    E7B 19  
E7B C14    C14    C 0 1 N N S -33.206 68.019 -23.554 6.785   1.131  0.136  C14    E7B 20  
E7B C15    C15    C 0 1 N N R -32.020 67.377 -24.290 5.592   1.544  1.000  C15    E7B 21  
E7B C26    C26    C 0 1 N N N -32.494 66.740 -25.599 5.576   0.708  2.281  C26    E7B 22  
E7B C16    C16    C 0 1 N N N -31.264 66.352 -23.435 4.294   1.310  0.223  C16    E7B 23  
E7B C17    C17    C 0 1 N N N -30.078 65.808 -24.227 3.111   1.838  1.036  C17    E7B 24  
E7B C18    C18    C 0 1 N N S -29.015 65.193 -23.317 1.814   1.605  0.260  C18    E7B 25  
E7B O4     O4     O 0 1 N N N -28.402 66.240 -22.521 1.828   2.385  -0.937 O4     E7B 26  
E7B C19    C19    C 0 1 N N S -27.949 64.475 -24.172 0.620   2.018  1.124  C19    E7B 27  
E7B C27    C27    C 0 1 N N N -28.528 63.276 -24.938 0.605   1.182  2.405  C27    E7B 28  
E7B C20    C20    C 0 1 N N N -26.821 64.023 -23.257 -0.658  1.788  0.359  C20    E7B 29  
E7B O13    O13    O 0 1 N N N -27.063 63.290 -22.318 -0.720  0.902  -0.460 O13    E7B 30  
E7B C21    C21    C 0 1 N N N -25.415 64.516 -23.542 -1.857  2.663  0.615  C21    E7B 31  
E7B C22    C22    C 0 1 N N R -24.342 63.974 -22.611 -3.013  2.221  -0.285 C22    E7B 32  
E7B O5     O5     O 0 1 N N N -23.063 64.171 -23.248 -3.423  0.902  0.079  O5     E7B 33  
E7B C23    C23    C 0 1 N N S -24.379 64.592 -21.188 -4.188  3.186  -0.116 C23    E7B 34  
E7B O6     O6     O 0 1 N N N -24.387 66.093 -21.092 -4.542  3.267  1.266  O6     E7B 35  
E7B C29    C29    C 0 1 N N N -23.751 66.815 -22.164 -4.993  4.560  1.675  C29    E7B 36  
E7B C24    C24    C 0 1 N N R -23.298 63.837 -20.326 -5.386  2.675  -0.920 C24    E7B 37  
E7B C31    C31    C 0 1 N N N -23.382 63.983 -18.790 -5.020  2.626  -2.405 C31    E7B 38  
E7B C33    C33    C 0 1 N N N -24.271 65.141 -18.344 -6.250  2.222  -3.220 C33    E7B 39  
E7B C32    C32    C 0 1 N N N -21.983 64.046 -18.159 -4.539  4.006  -2.858 C32    E7B 40  
E7B O7     O7     O 0 1 N N N -23.508 62.408 -20.439 -5.743  1.344  -0.464 O7     E7B 41  
E7B "C1'"  "C1'"  C 0 1 N N N -22.489 61.596 -20.828 -7.034  0.992  -0.562 "C1'"  E7B 42  
E7B O12    O12    O 0 1 N N N -21.383 62.017 -21.146 -7.840  1.771  -1.013 O12    E7B 43  
E7B "C2'"  "C2'"  C 0 1 N N N -22.766 60.088 -20.869 -7.479  -0.375 -0.109 "C2'"  E7B 44  
E7B "C3'"  "C3'"  C 0 1 N N R -22.366 59.497 -22.211 -8.987  -0.519 -0.327 "C3'"  E7B 45  
E7B O11    O11    O 0 1 N N N -22.804 58.140 -22.240 -9.272  -0.473 -1.726 O11    E7B 46  
E7B "C4'"  "C4'"  C 0 1 N N N -23.043 60.198 -23.408 -9.452  -1.836 0.238  "C4'"  E7B 47  
E7B "C7'"  "C7'"  C 0 1 N N N -24.560 60.031 -23.596 -8.999  -3.102 -0.371 "C7'"  E7B 48  
E7B O14    O14    O 0 1 N N N -25.188 60.822 -24.329 -7.925  -3.575 -0.059 O14    E7B 49  
E7B O9     O9     O 0 1 N N N -25.112 59.107 -22.974 -9.777  -3.732 -1.273 O9     E7B 50  
E7B "C5'"  "C5'"  C 0 1 N N N -22.263 60.940 -24.312 -10.280 -1.859 1.295  "C5'"  E7B 51  
E7B C41    C41    C 0 1 N N N -20.752 61.098 -24.120 -10.828 -0.569 1.851  C41    E7B 52  
E7B "C6'"  "C6'"  C 0 1 N N N -22.904 61.603 -25.523 -10.654 -3.146 1.913  "C6'"  E7B 53  
E7B O10    O10    O 0 1 N N N -23.138 60.867 -26.508 -10.136 -4.175 1.531  O10    E7B 54  
E7B O8     O8     O 0 1 N N N -23.174 62.821 -25.465 -11.570 -3.178 2.901  O8     E7B 55  
E7B H1     H1     H 0 1 N N N -39.753 62.988 -24.424 5.832   -6.521 -1.466 H1     E7B 56  
E7B H1A    H1A    H 0 1 N N N -39.366 63.858 -25.947 4.267   -5.675 -1.532 H1A    E7B 57  
E7B H1B    H1B    H 0 1 N N N -38.957 62.117 -25.778 5.137   -6.056 -3.038 H1B    E7B 58  
E7B H3     H3     H 0 1 N N N -38.639 64.842 -23.321 7.304   -5.063 -0.377 H3     E7B 59  
E7B H30    H30    H 0 1 N N N -37.129 62.550 -22.539 9.376   -4.527 -1.628 H30    E7B 60  
E7B H30A   H30A   H 0 0 N N N -36.265 63.991 -21.903 8.322   -5.607 -2.571 H30A   E7B 61  
E7B H30B   H30B   H 0 0 N N N -37.993 63.725 -21.491 8.400   -3.873 -2.965 H30B   E7B 62  
E7B H4     H4     H 0 1 N N N -36.526 66.134 -22.862 7.486   -2.201 -1.416 H4     E7B 63  
E7B H4A    H4A    H 0 1 N N N -35.796 65.209 -24.249 6.559   -2.697 0.020  H4A    E7B 64  
E7B H5     H5     H 0 1 N N N -37.642 66.046 -25.721 8.633   -3.576 1.056  H5     E7B 65  
E7B H5A    H5A    H 0 1 N N N -38.240 67.053 -24.348 9.561   -3.079 -0.380 H5A    E7B 66  
E7B H6     H6     H 0 1 N N N -35.470 67.244 -25.662 7.938   -1.183 1.375  H6     E7B 67  
E7B H7     H7     H 0 1 N N N -37.777 69.094 -25.932 10.943  -1.705 1.229  H7     E7B 68  
E7B H25    H25    H 0 1 N N N -37.099 68.858 -28.414 9.679   -3.375 2.559  H25    E7B 69  
E7B H25A   H25A   H 0 0 N N N -36.211 67.389 -27.886 10.666  -2.333 3.612  H25A   E7B 70  
E7B H25B   H25B   H 0 0 N N N -37.986 67.506 -27.633 8.912   -2.060 3.480  H25B   E7B 71  
E7B H8     H8     H 0 1 N N N -34.840 69.466 -26.778 9.343   0.304  2.882  H8     E7B 72  
E7B H8A    H8A    H 0 1 N N N -36.193 70.616 -27.089 11.108  0.069  2.931  H8A    E7B 73  
E7B H9     H9     H 0 1 N N N -34.781 71.287 -25.118 10.450  2.003  1.483  H9     E7B 74  
E7B H9A    H9A    H 0 1 N N N -36.500 70.961 -24.673 11.286  0.727  0.564  H9A    E7B 75  
E7B H11    H11    H 0 1 N N N -34.520 71.112 -22.734 9.493   2.785  -0.693 H11    E7B 76  
E7B H11A   H11A   H 0 0 N N N -36.008 70.195 -22.200 10.226  1.432  -1.590 H11A   E7B 77  
E7B H12    H12    H 0 1 N N N -33.856 69.976 -20.786 8.209   2.357  -2.751 H12    E7B 78  
E7B H12A   H12A   H 0 0 N N N -34.764 68.461 -21.283 7.995   0.652  -2.285 H12A   E7B 79  
E7B H13    H13    H 0 1 N N N -32.463 67.967 -21.521 5.978   1.941  -1.692 H13    E7B 80  
E7B H28    H28    H 0 1 N N N -31.532 69.967 -23.402 7.171   4.148  -1.483 H28    E7B 81  
E7B H28A   H28A   H 0 0 N N N -31.956 70.646 -21.794 6.085   3.807  -0.115 H28A   E7B 82  
E7B H28B   H28B   H 0 0 N N N -30.786 69.288 -21.916 7.843   3.594  0.070  H28B   E7B 83  
E7B H14    H14    H 0 1 N N N -33.882 67.192 -23.292 6.654   0.101  -0.196 H14    E7B 84  
E7B H15    H15    H 0 1 N N N -31.306 68.185 -24.510 5.677   2.600  1.256  H15    E7B 85  
E7B H26    H26    H 0 1 N N N -32.608 67.520 -26.367 5.576   -0.351 2.024  H26    E7B 86  
E7B H26A   H26A   H 0 0 N N N -31.753 66.000 -25.935 6.461   0.938  2.876  H26A   E7B 87  
E7B H26B   H26B   H 0 0 N N N -33.462 66.243 -25.435 4.681   0.942  2.857  H26B   E7B 88  
E7B H16    H16    H 0 1 N N N -30.901 66.836 -22.516 4.343   1.835  -0.731 H16    E7B 89  
E7B H16A   H16A   H 0 0 N N N -31.939 65.525 -23.170 4.165   0.243  0.044  H16A   E7B 90  
E7B H17    H17    H 0 1 N N N -30.442 65.032 -24.916 3.063   1.313  1.991  H17    E7B 91  
E7B H17A   H17A   H 0 0 N N N -29.618 66.646 -24.771 3.240   2.906  1.215  H17A   E7B 92  
E7B H18    H18    H 0 1 N N N -29.482 64.457 -22.646 1.728   0.549  0.004  H18    E7B 93  
E7B HO4    HO4    H 0 1 N N N -28.268 65.927 -21.634 1.902   3.337  -0.785 HO4    E7B 94  
E7B H19    H19    H 0 1 N N N -27.574 65.180 -24.928 0.706   3.074  1.380  H19    E7B 95  
E7B H27    H27    H 0 1 N N N -28.666 63.548 -25.995 0.520   0.126  2.149  H27    E7B 96  
E7B H27A   H27A   H 0 0 N N N -27.834 62.425 -24.866 1.529   1.349  2.959  H27A   E7B 97  
E7B H27B   H27B   H 0 0 N N N -29.498 62.996 -24.502 -0.245  1.477  3.021  H27B   E7B 98  
E7B H21    H21    H 0 1 N N N -25.155 64.209 -24.566 -2.156  2.573  1.660  H21    E7B 99  
E7B H21A   H21A   H 0 0 N N N -25.432 65.606 -23.394 -1.603  3.701  0.398  H21A   E7B 100 
E7B H22    H22    H 0 1 N N N -24.531 62.903 -22.446 -2.685  2.227  -1.325 H22    E7B 101 
E7B HO5    HO5    H 0 1 N N N -23.181 64.214 -24.190 -3.727  0.823  0.993  HO5    E7B 102 
E7B H23    H23    H 0 1 N N N -25.376 64.422 -20.755 -3.903  4.174  -0.477 H23    E7B 103 
E7B H29    H29    H 0 1 N N N -23.589 67.859 -21.858 -5.158  4.564  2.753  H29    E7B 104 
E7B H29A   H29A   H 0 0 N N N -22.783 66.347 -22.398 -4.240  5.305  1.420  H29A   E7B 105 
E7B H29B   H29B   H 0 0 N N N -24.395 66.790 -23.055 -5.926  4.798  1.164  H29B   E7B 106 
E7B H24    H24    H 0 1 N N N -22.365 64.272 -20.715 -6.233  3.347  -0.777 H24    E7B 107 
E7B H31    H31    H 0 1 N N N -23.875 63.074 -18.415 -4.226  1.895  -2.559 H31    E7B 108 
E7B H33    H33    H 0 1 N N N -24.485 65.047 -17.269 -7.044  2.952  -3.066 H33    E7B 109 
E7B H33A   H33A   H 0 0 N N N -23.754 66.094 -18.533 -5.989  2.186  -4.278 H33A   E7B 110 
E7B H33B   H33B   H 0 0 N N N -25.215 65.117 -18.909 -6.593  1.239  -2.897 H33B   E7B 111 
E7B H32    H32    H 0 1 N N N -21.222 64.061 -18.953 -3.609  4.253  -2.345 H32    E7B 112 
E7B H32A   H32A   H 0 0 N N N -21.896 64.958 -17.551 -4.368  3.996  -3.934 H32A   E7B 113 
E7B H32B   H32B   H 0 0 N N N -21.829 63.163 -17.521 -5.296  4.752  -2.617 H32B   E7B 114 
E7B "H2'"  "H2'"  H 0 1 N N N -22.186 59.596 -20.075 -6.954  -1.137 -0.685 "H2'"  E7B 115 
E7B "H2'A" "H2'A" H 0 0 N N N -23.844 59.925 -20.720 -7.252  -0.499 0.950  "H2'A" E7B 116 
E7B "H3'"  "H3'"  H 0 1 N N N -21.276 59.614 -22.305 -9.506  0.296  0.177  "H3'"  E7B 117 
E7B HO11   HO11   H 0 0 N N N -22.901 57.857 -23.142 -8.842  -1.171 -2.239 HO11   E7B 118 
E7B HO9    HO9    H 0 1 N N N -26.045 59.118 -23.152 -9.437  -4.558 -1.644 HO9    E7B 119 
E7B H41    H41    H 0 1 N N N -20.259 61.136 -25.103 -11.717 -0.281 1.291  H41    E7B 120 
E7B H41A   H41A   H 0 0 N N N -20.548 62.029 -23.571 -11.087 -0.707 2.901  H41A   E7B 121 
E7B H41B   H41B   H 0 0 N N N -20.364 60.242 -23.548 -10.074 0.213  1.763  H41B   E7B 122 
E7B HO8    HO8    H 0 1 N N N -23.580 63.095 -26.279 -11.782 -4.045 3.274  HO8    E7B 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 
E7B C1    C2     SING N N 1   
E7B C1    H1     SING N N 2   
E7B C1    H1A    SING N N 3   
E7B C1    H1B    SING N N 4   
E7B O3    C2     DOUB N N 5   
E7B C2    C3     SING N N 6   
E7B C4    C3     SING N N 7   
E7B C3    C30    SING N N 8   
E7B C3    H3     SING N N 9   
E7B C30   H30    SING N N 10  
E7B C30   H30A   SING N N 11  
E7B C30   H30B   SING N N 12  
E7B C5    C4     SING N N 13  
E7B C4    H4     SING N N 14  
E7B C4    H4A    SING N N 15  
E7B C6    C5     SING N N 16  
E7B C5    H5     SING N N 17  
E7B C5    H5A    SING N N 18  
E7B C7    C6     SING N N 19  
E7B C6    O2     SING N N 20  
E7B C6    H6     SING N N 21  
E7B C10   O2     SING N N 22  
E7B C25   C7     SING N N 23  
E7B C8    C7     SING N N 24  
E7B C7    H7     SING N N 25  
E7B C25   H25    SING N N 26  
E7B C25   H25A   SING N N 27  
E7B C25   H25B   SING N N 28  
E7B C8    C9     SING N N 29  
E7B C8    H8     SING N N 30  
E7B C8    H8A    SING N N 31  
E7B C9    C10    SING N N 32  
E7B C9    H9     SING N N 33  
E7B C9    H9A    SING N N 34  
E7B O1    C10    SING N N 35  
E7B C10   C11    SING N N 36  
E7B O1    C14    SING N N 37  
E7B C11   C12    SING N N 38  
E7B C11   H11    SING N N 39  
E7B C11   H11A   SING N N 40  
E7B C13   C12    SING N N 41  
E7B C12   H12    SING N N 42  
E7B C12   H12A   SING N N 43  
E7B C14   C13    SING N N 44  
E7B C28   C13    SING N N 45  
E7B C13   H13    SING N N 46  
E7B C28   H28    SING N N 47  
E7B C28   H28A   SING N N 48  
E7B C28   H28B   SING N N 49  
E7B C15   C14    SING N N 50  
E7B C14   H14    SING N N 51  
E7B C26   C15    SING N N 52  
E7B C15   C16    SING N N 53  
E7B C15   H15    SING N N 54  
E7B C26   H26    SING N N 55  
E7B C26   H26A   SING N N 56  
E7B C26   H26B   SING N N 57  
E7B C17   C16    SING N N 58  
E7B C16   H16    SING N N 59  
E7B C16   H16A   SING N N 60  
E7B C17   C18    SING N N 61  
E7B C17   H17    SING N N 62  
E7B C17   H17A   SING N N 63  
E7B C19   C18    SING N N 64  
E7B C18   O4     SING N N 65  
E7B C18   H18    SING N N 66  
E7B O4    HO4    SING N N 67  
E7B C27   C19    SING N N 68  
E7B C19   C20    SING N N 69  
E7B C19   H19    SING N N 70  
E7B C27   H27    SING N N 71  
E7B C27   H27A   SING N N 72  
E7B C27   H27B   SING N N 73  
E7B C21   C20    SING N N 74  
E7B C20   O13    DOUB N N 75  
E7B C21   C22    SING N N 76  
E7B C21   H21    SING N N 77  
E7B C21   H21A   SING N N 78  
E7B O5    C22    SING N N 79  
E7B C22   C23    SING N N 80  
E7B C22   H22    SING N N 81  
E7B O5    HO5    SING N N 82  
E7B C23   O6     SING N N 83  
E7B C23   C24    SING N N 84  
E7B C23   H23    SING N N 85  
E7B C29   O6     SING N N 86  
E7B C29   H29    SING N N 87  
E7B C29   H29A   SING N N 88  
E7B C29   H29B   SING N N 89  
E7B O7    C24    SING N N 90  
E7B C24   C31    SING N N 91  
E7B C24   H24    SING N N 92  
E7B C31   C33    SING N N 93  
E7B C31   C32    SING N N 94  
E7B C31   H31    SING N N 95  
E7B C33   H33    SING N N 96  
E7B C33   H33A   SING N N 97  
E7B C33   H33B   SING N N 98  
E7B C32   H32    SING N N 99  
E7B C32   H32A   SING N N 100 
E7B C32   H32B   SING N N 101 
E7B "C1'" O7     SING N N 102 
E7B O12   "C1'"  DOUB N N 103 
E7B "C2'" "C1'"  SING N N 104 
E7B "C3'" "C2'"  SING N N 105 
E7B "C2'" "H2'"  SING N N 106 
E7B "C2'" "H2'A" SING N N 107 
E7B "C4'" "C3'"  SING N N 108 
E7B O11   "C3'"  SING N N 109 
E7B "C3'" "H3'"  SING N N 110 
E7B O11   HO11   SING N N 111 
E7B "C5'" "C4'"  DOUB N N 112 
E7B "C7'" "C4'"  SING N N 113 
E7B O14   "C7'"  DOUB N N 114 
E7B "C7'" O9     SING N N 115 
E7B O9    HO9    SING N Z 116 
E7B "C6'" "C5'"  SING N N 117 
E7B "C5'" C41    SING N N 118 
E7B C41   H41    SING N N 119 
E7B C41   H41A   SING N N 120 
E7B C41   H41B   SING N N 121 
E7B O10   "C6'"  DOUB N N 122 
E7B "C6'" O8     SING N N 123 
E7B O8    HO8    SING N N 124 
# 
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 
E7B SMILES           ACDLabs              10.04 O=C(O)\C(=C(/C(=O)O)C(O)CC(=O)OC(C(C)C)C(OC)C(O)CC(=O)C(C)C(O)CCC(C2OC1(OC(C(CC1)C)CCC(C(=O)C)C)CCC2C)C)C 
E7B InChI            InChI                1.02b 
;InChI=1/C41H68O14/c1-21(2)36(53-34(47)20-31(45)35(40(50)51)27(8)39(48)49)38(52-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(55-37)17-15-23(4)33(54-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3,(H,48,49)(H,50,51)/b35-27-/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38-,41+/m0/s1/f/h48,50H
;
E7B InChIKey         InChI                1.02b FLYBGKSOQRCWMB-WMEWBSOADA 
E7B SMILES_CANONICAL CACTVS               3.341 CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)\C(C(O)=O)=C(/C)C(O)=O)C(C)C 
E7B SMILES           CACTVS               3.341 CO[CH]([CH](O)CC(=O)[CH](C)[CH](O)CC[CH](C)[CH]1O[C]2(CC[CH](C)[CH](CC[CH](C)C(C)=O)O2)CC[CH]1C)[CH](OC(=O)C[CH](O)C(C(O)=O)=C(C)C(O)=O)C(C)C 
E7B SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@@H]([C@@H](C(C)C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)/C(=O)O)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C 
E7B SMILES           "OpenEye OEToolkits" 1.5.0 CC1CCC2(CCC(C(O2)C(C)CCC(C(C)C(=O)CC(C(C(C(C)C)OC(=O)CC(C(=C(C)C(=O)O)C(=O)O)O)OC)O)O)C)OC1CCC(C)C(=O)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 
E7B "SYSTEMATIC NAME" ACDLabs              10.04 
"(2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10R)-10-{(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid" 
E7B "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
"(Z)-2-[(1R)-3-[(3R,4S,5R,8S,9S,12R)-12-[(2S,3R,6R,8S,9S)-3,9-dimethyl-2-[(3S)-3-methyl-4-oxo-pentyl]-1,7-dioxaspiro[5.5]undecan-8-yl]-5,9-dihydroxy-4-methoxy-2,8-dimethyl-7-oxo-tridecan-3-yl]oxy-1-hydroxy-3-oxo-propyl]-3-methyl-but-2-enedioic acid" 
# 
