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54162 1 6 0 0 0 55163 1 0 0 0 0 56164 1 0 0 0 0 56165 1 0 0 0 0 57166 1 0 0 0 0 57167 1 0 0 0 0 58168 1 0 0 0 0 58169 1 0 0 0 0 59170 1 0 0 0 0 59171 1 0 0 0 0 60172 1 6 0 0 0 61173 1 0 0 0 0 61174 1 0 0 0 0 61175 1 0 0 0 0 62176 1 1 0 0 0 63177 1 0 0 0 0 64178 1 1 0 0 0 65179 1 0 0 0 0 67180 1 0 0 0 0 69181 1 1 0 0 0 70182 1 0 0 0 0 70183 1 0 0 0 0 71184 1 1 0 0 0 76185 1 0 0 0 0 77186 1 6 0 0 0 78187 1 0 0 0 0 79188 1 0 0 0 0 79189 1 0 0 0 0 80190 1 1 0 0 0 84191 1 0 0 0 0 84192 1 0 0 0 0 87193 1 0 0 0 0 88194 1 0 0 0 0 88195 1 0 0 0 0 89196 1 1 0 0 0 90197 1 0 0 0 0 91198 1 0 0 0 0 91199 1 0 0 0 0 92200 1 0 0 0 0 92201 1 0 0 0 0 93202 1 0 0 0 0 93203 1 0 0 0 0 94204 1 6 0 0 0 95205 1 0 0 0 0 96206 1 6 0 0 0 98207 1 1 0 0 0 99208 1 6 0 0 0 100209 1 0 0 0 0 100210 1 0 0 0 0 100211 1 0 0 0 0 M END > NP0021205 > NP-MRD > [H]OC(=O)C([H])([H])C(=O)O[C@@]1([H])C([H])([H])[C@@]2([H])O[C@@](O[H])([C@]([H])(O[H])[C@@]([H])(O[S](=O)(=O)O[H])C2([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])\C([H])=C([H])/C(=O)O[C@]([H])([C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[C@@]2([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(OC([H])([H])[H])[C@]([H])(OC(=O)C3=C([H])C([H])=C(N([H])C([H])([H])[H])C(O[C@@]4([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C4([H])[H])=C3[H])C2([H])[H])C([H])([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]2([H])O[C@]2([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C1([H])[H] > InChI=1S/C68H111NO30S/c1-11-49(93-57-31-51(63(89-10)39(8)91-57)95-67(84)40-22-23-46(69-9)50(26-40)94-56-25-24-47(73)38(7)90-56)34(3)59(80)35(4)60(81)36(5)61-37(6)62-64(97-62)48(74)20-14-18-43(72)28-44(92-55(78)32-53(75)76)29-45-30-52(99-100(86,87)88)65(82)68(85,98-45)66(83)58(79)33(2)16-12-13-17-41(70)27-42(71)19-15-21-54(77)96-61/h15,21-23,26,33-39,41-45,47-49,51-52,56-66,69-74,79-83,85H,11-14,16-20,24-25,27-32H2,1-10H3,(H,75,76)(H,86,87,88)/b21-15-/t33-,34-,35-,36-,37-,38-,39+,41-,42+,43+,44-,45-,47+,48-,49-,51-,52+,56-,57-,58+,59+,60+,61-,62-,63+,64-,65-,66+,68+/m1/s1 > HVHQPPAFOWCAJP-DAVVFICISA-N > C68H111NO30S > 1454.67 > 1453.691162352 > 27 > 211 > 152.596424529811 > 0 > 14 > 0 > 0 > 3-{[(1R,3R,5S,9R,10R,12R,13R,14R,17Z,20S,22R,27R,28S,29S,30R,31R,32S)-14-[(2R,3S,4R,5R,6S,7R)-3,5-dihydroxy-7-{[(2S,4R,5S,6S)-4-(3-{[(2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-4-(methylamino)benzoyloxy)-5-methoxy-6-methyloxan-2-yl]oxy}-4,6-dimethylnonan-2-yl]-5,9,20,22,28,29,30,31-octahydroxy-13,27-dimethyl-16-oxo-32-(sulfooxy)-11,15,34-trioxatricyclo[28.3.1.0^{10,12}]tetratriacont-17-en-3-yl]oxy}-3-oxopropanoic acid > 1.30 > 2.2322506806947437 > -3.89 > 1 > 6 > -2 > 3.868911340860517 > -1.7573122543878332 > 3.1951233130502854 > 482.27000000000004 > 353.16700000000003 > 22 > 0 > 1.89e-01 g/l > 3-{[(1R,3R,5S,9R,10R,12R,13R,14R,17Z,20S,22R,27R,28S,29S,30R,31R,32S)-14-[(2R,3S,4R,5R,6S,7R)-3,5-dihydroxy-7-{[(2S,4R,5S,6S)-4-(3-{[(2R,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-4-(methylamino)benzoyloxy)-5-methoxy-6-methyloxan-2-yl]oxy}-4,6-dimethylnonan-2-yl]-5,9,20,22,28,29,30,31-octahydroxy-13,27-dimethyl-16-oxo-32-(sulfooxy)-11,15,34-trioxatricyclo[28.3.1.0^{10,12}]tetratriacont-17-en-3-yl]oxy}-3-oxopropanoic acid > 0 > NP0021205 > Notonesomycin A $$$$