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0 0 75179 1 0 0 0 0 75180 1 0 0 0 0 76181 1 6 0 0 0 34136 1 6 0 0 0 32133 1 0 0 0 0 33134 1 0 0 0 0 33135 1 0 0 0 0 68168 1 1 0 0 0 69169 1 0 0 0 0 69170 1 0 0 0 0 70171 1 0 0 0 0 70172 1 0 0 0 0 38142 1 0 0 0 0 38143 1 0 0 0 0 39144 1 6 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 72173 1 0 0 0 0 72174 1 0 0 0 0 72175 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 74176 1 0 0 0 0 74177 1 0 0 0 0 74178 1 0 0 0 0 28127 1 0 0 0 0 28128 1 0 0 0 0 28129 1 0 0 0 0 53153 1 1 0 0 0 55154 1 1 0 0 0 58158 1 1 0 0 0 60160 1 1 0 0 0 62162 1 6 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 77182 1 0 0 0 0 80184 1 6 0 0 0 82185 1 6 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 1 0 0 0 16115 1 1 0 0 0 11111 1 1 0 0 0 10110 1 1 0 0 0 78183 1 6 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 1 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 6 0 0 0 8109 1 1 0 0 0 6108 1 1 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 > NP0024666 > 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])(O[H])C([H])([H])[C@@]43C([H])([H])[H])[C@@]2(C([H])=O)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/c1-25-49(97-56-45(82)38(75)31(73)22-90-56)44(81)48(85)57(91-25)101-54-53(100-58-46(83)40(77)33(95-58)23-89-27(3)71)50(93-28(4)72)26(2)92-61(54)102-62(88)68-18-17-63(5,6)19-30(68)29-11-12-35-64(7)15-14-37(65(8,24-70)34(64)13-16-66(35,9)67(29,10)20-36(68)74)96-60-52(43(80)42(79)51(98-60)55(86)87)99-59-47(84)41(78)39(76)32(21-69)94-59/h11,24-26,30-54,56-61,69,73-85H,12-23H2,1-10H3,(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-,54+,56-,57-,58-,59-,60+,61-,64-,65-,66+,67+,68+/m0/s1 > IQLOVYJEJWXIMF-FSZQOGGBSA-N > C68H104O34 > 1465.546 > 1464.640900429 > 31 > 206 > 146.4895254129559 > 0 > 15 > 0 > 0 > (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aS,6aR,6bS,8R,8aR,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-formyl-8-hydroxy-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 > 0.66 > -2.168132432666672 > -3.04 > 1 > 11 > -1 > 11.728809521047168 > 3.309936072826523 > -3.693390105093335 > 518.0200000000002 > 333.5874999999999 > 21 > 0 > 1.32e+00 g/l > (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aS,6aR,6bS,8R,8aR,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-formyl-8-hydroxy-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 > NP0024666 > Segetoside I $$$$