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0 25122 1 0 0 0 0 25123 1 0 0 0 0 29130 1 0 0 0 0 29131 1 0 0 0 0 76179 1 0 0 0 0 76180 1 0 0 0 0 77181 1 0 0 0 0 77182 1 0 0 0 0 34136 1 1 0 0 0 32133 1 0 0 0 0 33134 1 0 0 0 0 33135 1 0 0 0 0 69168 1 1 0 0 0 70169 1 0 0 0 0 70170 1 0 0 0 0 71171 1 0 0 0 0 71172 1 0 0 0 0 38142 1 0 0 0 0 38143 1 0 0 0 0 39144 1 1 0 0 0 37140 1 0 0 0 0 37141 1 0 0 0 0 27124 1 0 0 0 0 27125 1 0 0 0 0 27126 1 0 0 0 0 73173 1 0 0 0 0 73174 1 0 0 0 0 73175 1 0 0 0 0 36137 1 0 0 0 0 36138 1 0 0 0 0 36139 1 0 0 0 0 65164 1 0 0 0 0 65165 1 0 0 0 0 65166 1 0 0 0 0 75176 1 0 0 0 0 75177 1 0 0 0 0 75178 1 0 0 0 0 28127 1 0 0 0 0 28128 1 0 0 0 0 28129 1 0 0 0 0 68167 1 0 0 0 0 53153 1 6 0 0 0 55154 1 1 0 0 0 58158 1 1 0 0 0 60160 1 1 0 0 0 62162 1 1 0 0 0 56155 1 0 0 0 0 56156 1 0 0 0 0 59159 1 0 0 0 0 61161 1 0 0 0 0 57157 1 0 0 0 0 63163 1 0 0 0 0 46147 1 0 0 0 0 80184 1 6 0 0 0 82185 1 1 0 0 0 84189 1 1 0 0 0 95199 1 1 0 0 0 97201 1 1 0 0 0 83186 1 0 0 0 0 83187 1 0 0 0 0 83188 1 0 0 0 0 98202 1 0 0 0 0 96200 1 0 0 0 0 19119 1 6 0 0 0 16115 1 6 0 0 0 11111 1 6 0 0 0 10110 1 6 0 0 0 78183 1 1 0 0 0 17116 1 0 0 0 0 17117 1 0 0 0 0 17118 1 0 0 0 0 86190 1 1 0 0 0 89193 1 6 0 0 0 91195 1 1 0 0 0 93197 1 6 0 0 0 94198 1 0 0 0 0 88191 1 0 0 0 0 88192 1 0 0 0 0 90194 1 0 0 0 0 92196 1 0 0 0 0 101205 1 1 0 0 0 99203 1 1 0 0 0 8109 1 6 0 0 0 6108 1 6 0 0 0 102206 1 0 0 0 0 100204 1 0 0 0 0 5106 1 0 0 0 0 5107 1 0 0 0 0 14112 1 0 0 0 0 14113 1 0 0 0 0 14114 1 0 0 0 0 1103 1 0 0 0 0 1104 1 0 0 0 0 1105 1 0 0 0 0 M END > NP0024665 > NP-MRD > [H]OC(=O)[C@@]1([H])O[C@@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])=C3[C@]5([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]5(C(=O)O[C@]5([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(O[C@]6([H])O[C@]([H])(C([H])([H])OC(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]6([H])O[H])[C@@]5([H])O[C@]5([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@]6([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H])[C@@]([H])(O[H])[C@@]5([H])O[H])C([H])([H])C([H])([H])[C@@]43C([H])([H])[H])[C@@]2(C(=O)O[H])C([H])([H])[H])[C@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H] > InChI=1S/C68H104O34/c1-25-48(97-55-44(80)37(73)31(72)23-90-55)43(79)47(83)56(91-25)101-53-52(100-57-45(81)39(75)33(95-57)24-89-27(3)70)49(93-28(4)71)26(2)92-60(53)102-62(88)68-19-17-63(5,6)21-30(68)29-11-12-34-64(7)15-14-36(67(10,61(86)87)35(64)13-16-66(34,9)65(29,8)18-20-68)96-59-51(42(78)41(77)50(98-59)54(84)85)99-58-46(82)40(76)38(74)32(22-69)94-58/h11,25-26,30-53,55-60,69,72-83H,12-24H2,1-10H3,(H,84,85)(H,86,87)/t25-,26+,30-,31+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43-,44+,45+,46+,47+,48-,49-,50-,51+,52-,53+,55-,56-,57-,58-,59+,60-,64+,65+,66+,67-,68-/m0/s1 > UPFBFRHMUUDCKD-HHZHQJETSA-N > C68H104O34 > 1465.546 > 1464.640900429 > 31 > 206 > 150.3007686646703 > 0 > 15 > 0 > 0 > (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-({[(2S,3R,4S,5S,6R)-5-(acetyloxy)-4-{[(2S,3R,4S,5R)-5-[(acetyloxy)methyl]-3,4-dihydroxyoxolan-2-yl]oxy}-3-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}carbonyl)-4-carboxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 0.91 > -0.7787051133333377 > -3.24 > 1 > 11 > -2 > 4.120898768707847 > 3.193776489464092 > -3.7322776248104548 > 518.0200000000002 > 332.99739999999997 > 21 > 0 > 8.49e-01 g/l > (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-({[(2S,3R,4S,5S,6R)-5-(acetyloxy)-4-{[(2S,3R,4S,5R)-5-[(acetyloxy)methyl]-3,4-dihydroxyoxolan-2-yl]oxy}-3-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}carbonyl)-4-carboxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 0 > NP0024665 > Segetoside H $$$$