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37151 1 6 0 0 0 39152 1 6 0 0 0 40153 1 0 0 0 0 40154 1 0 0 0 0 41155 1 0 0 0 0 41156 1 0 0 0 0 42157 1 1 0 0 0 46158 1 6 0 0 0 47159 1 0 0 0 0 47160 1 0 0 0 0 47161 1 0 0 0 0 48162 1 6 0 0 0 49163 1 0 0 0 0 51164 1 0 0 0 0 51165 1 0 0 0 0 51166 1 0 0 0 0 52167 1 0 0 0 0 54168 1 0 0 0 0 55169 1 0 0 0 0 58170 1 0 0 0 0 61171 1 0 0 0 0 62172 1 0 0 0 0 65173 1 1 0 0 0 66174 1 0 0 0 0 66175 1 0 0 0 0 66176 1 0 0 0 0 68177 1 6 0 0 0 69178 1 0 0 0 0 69179 1 0 0 0 0 69180 1 0 0 0 0 74181 1 0 0 0 0 75182 1 0 0 0 0 76183 1 6 0 0 0 77184 1 0 0 0 0 77185 1 0 0 0 0 77186 1 0 0 0 0 78187 1 6 0 0 0 79188 1 0 0 0 0 80189 1 0 0 0 0 80190 1 0 0 0 0 81191 1 6 0 0 0 82192 1 0 0 0 0 83193 1 0 0 0 0 84194 1 0 0 0 0 85195 1 0 0 0 0 85196 1 0 0 0 0 86197 1 0 0 0 0 86198 1 0 0 0 0 87199 1 1 0 0 0 88200 1 0 0 0 0 88201 1 0 0 0 0 88202 1 0 0 0 0 89203 1 1 0 0 0 90204 1 0 0 0 0 91205 1 6 0 0 0 92206 1 0 0 0 0 94207 1 0 0 0 0 96208 1 6 0 0 0 97209 1 0 0 0 0 97210 1 0 0 0 0 98211 1 0 0 0 0 98212 1 0 0 0 0 99213 1 1 0 0 0 100214 1 0 0 0 0 101215 1 6 0 0 0 102216 1 0 0 0 0 M END > NP0010851 > NP-MRD > [H]O[C@@]([H])(C(=C(/[H])C1=C([H])C([H])=C2C(=O)C([H])=C([H])C(=O)C2=C1[H])\C([H])([H])[H])[C@@]([H])(C(=O)O[C@]1([H])C([H])([H])C([H])([H])[C@@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@]([H])(O[C@]([H])(C([H])([H])[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@@]3([H])OC(=O)\C([H])=C([H])/[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])\C([H])=C([H])/C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4(O[H])O[C@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]4([H])O[H])C([H])([H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])[C@]4([H])O[C@@]4([H])[C@@]3([H])C([H])([H])[H])O[C@@]2([H])C([H])([H])[H])O[C@@]1([H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C75H114O27/c1-35-17-24-62(85)100-69(42(8)70-71(101-70)58(83)32-50(79)29-49(78)30-51(97-46(12)76)33-52-34-59(84)72(90)75(93,102-52)73(91)66(87)36(2)15-13-14-16-48(77)31-57(35)82)40(6)68(89)39(5)67(88)38(4)43(9)94-63-25-22-60(44(10)95-63)98-64-26-23-61(45(11)96-64)99-74(92)41(7)65(86)37(3)27-47-18-19-53-54(28-47)56(81)21-20-55(53)80/h14,16-21,24,27-28,35-36,38-45,48-52,57-61,63-73,77-79,82-84,86-91,93H,13,15,22-23,25-26,29-34H2,1-12H3/b16-14-,24-17-,37-27+/t35-,36+,38-,39+,40-,41-,42-,43+,44-,45-,48+,49-,50-,51-,52-,57-,58+,59+,60-,61+,63+,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,75-/m0/s1 > OKYZPPPUAQTHME-SMGFLUAWSA-N > C75H114O27 > 1447.71 > 1446.754748411 > 24 > 216 > 153.92851381942205 > 0 > 13 > 0 > 0 > (2S,3R,6R)-6-{[(2S,3S,6R)-6-{[(2R,3R,4R,5R,6S,7S)-7-[(1R,3S,5S,7S,9R,10S,12S,13S,14R,17Z,19S,20S,22S,23Z,27R,28R,29S,30S,31S,32R)-3-(acetyloxy)-5,7,9,20,22,28,29,30,31,32-decahydroxy-13,19,27-trimethyl-16-oxo-11,15,34-trioxatricyclo[28.3.1.0^{10,12}]tetratriaconta-17,23-dien-14-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl (2S,3R,4E)-5-(5,8-dioxo-5,8-dihydronaphthalen-2-yl)-3-hydroxy-2,4-dimethylpent-4-enoate > 1.93 > 2.3860537499999994 > -4.44 > 1 > 7 > 0 > 12.195546481614294 > 10.062891605092423 > -3.222233480024646 > 434.7100000000001 > 371.1868999999998 > 18 > 0 > 5.25e-02 g/l > (2S,3R,6R)-6-{[(2S,3S,6R)-6-{[(2R,3R,4R,5R,6S,7S)-7-[(1R,3S,5S,7S,9R,10S,12S,13S,14R,17Z,19S,20S,22S,23Z,27R,28R,29S,30S,31S,32R)-3-(acetyloxy)-5,7,9,20,22,28,29,30,31,32-decahydroxy-13,19,27-trimethyl-16-oxo-11,15,34-trioxatricyclo[28.3.1.0^{10,12}]tetratriaconta-17,23-dien-14-yl]-4,6-dihydroxy-3,5-dimethyloctan-2-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl (2S,3R,4E)-5-(5,8-dioxonaphthalen-2-yl)-3-hydroxy-2,4-dimethylpent-4-enoate > 0 > NP0010851 > Langkolide $$$$