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0 0 0 0 -1.5385 3.2570 -2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5624 1.9295 -2.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5174 3.3741 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1093 4.7331 -2.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1526 6.8718 -1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9835 7.8247 1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4709 6.9846 0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 8.8426 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 9.8270 3.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6368 9.7273 4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9092 11.3918 3.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8462 11.8206 5.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 12.4958 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6455 13.1948 3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2838 11.0525 1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 12.6562 0.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 11.4306 -0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0969 9.9722 -1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8308 7.8920 -0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6365 9.2834 -2.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2685 6.8418 -3.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5775 6.8577 -3.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8649 5.4665 -1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7275 3.7631 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3274 1.0364 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2354 1.8733 1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0759 -0.3132 1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0126 1.0281 1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 -1.0656 -2.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -1.6195 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1347 -0.1782 -1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1191 -0.0213 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4145 -1.6381 1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4032 -2.6032 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -2.1450 2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 -3.6255 2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4954 -4.4269 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0903 -3.7476 -1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5048 -5.0536 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 38 39 1 0 0 0 0 57 33 1 0 0 0 0 40 49 1 0 0 0 0 49 47 1 0 0 0 0 47 45 1 0 0 0 0 57 58 1 0 0 0 0 33 32 1 0 0 0 0 32 31 1 0 0 0 0 59 58 1 0 0 0 0 59 31 1 0 0 0 0 45 42 1 0 0 0 0 42 41 1 0 0 0 0 41 40 1 0 0 0 0 59 61 1 0 0 0 0 31 29 1 0 0 0 0 29 28 1 0 0 0 0 28 27 1 0 0 0 0 61 27 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 61 62 1 0 0 0 0 27 26 1 0 0 0 0 64 63 1 0 0 0 0 63 62 1 0 0 0 0 64 26 1 0 0 0 0 17 18 1 0 0 0 0 43 44 1 0 0 0 0 14 23 1 0 0 0 0 23 21 1 0 0 0 0 21 19 1 0 0 0 0 26 25 1 0 0 0 0 25 12 1 0 0 0 0 12 11 1 0 0 0 0 11 64 1 0 0 0 0 19 16 1 0 0 0 0 11 9 1 0 0 0 0 16 15 1 0 0 0 0 9 10 1 0 0 0 0 15 14 1 0 0 0 0 9 8 1 0 0 0 0 8 6 1 0 0 0 0 19 20 1 0 0 0 0 6 4 1 0 0 0 0 21 22 1 0 0 0 0 4 2 1 0 0 0 0 23 24 1 0 0 0 0 2 1 1 0 0 0 0 4 5 1 0 0 0 0 2 3 1 0 0 0 0 35 55 1 0 0 0 0 59 60 1 6 0 0 0 55 53 1 0 0 0 0 29 30 2 0 0 0 0 53 51 1 0 0 0 0 64 65 1 6 0 0 0 51 37 1 0 0 0 0 6 7 1 0 0 0 0 37 36 1 0 0 0 0 11 83 1 1 0 0 0 36 35 1 0 0 0 0 31102 1 1 0 0 0 33 34 1 0 0 0 0 12 13 1 0 0 0 0 16 17 1 0 0 0 0 14 13 1 0 0 0 0 42 43 1 0 0 0 0 40 39 1 0 0 0 0 37 38 1 0 0 0 0 35 34 1 0 0 0 0 14 85 1 1 0 0 0 19 90 1 6 0 0 0 20 91 1 0 0 0 0 21 92 1 1 0 0 0 22 93 1 0 0 0 0 23 94 1 6 0 0 0 24 95 1 0 0 0 0 17 87 1 0 0 0 0 17 88 1 0 0 0 0 16 86 1 1 0 0 0 18 89 1 0 0 0 0 5 74 1 0 0 0 0 40110 1 1 0 0 0 45115 1 6 0 0 0 46116 1 0 0 0 0 47117 1 1 0 0 0 48118 1 0 0 0 0 49119 1 6 0 0 0 50120 1 0 0 0 0 43112 1 0 0 0 0 43113 1 0 0 0 0 42111 1 1 0 0 0 44114 1 0 0 0 0 35106 1 6 0 0 0 51121 1 1 0 0 0 52122 1 0 0 0 0 53123 1 6 0 0 0 54124 1 0 0 0 0 55125 1 1 0 0 0 56126 1 0 0 0 0 38108 1 0 0 0 0 38109 1 0 0 0 0 37107 1 6 0 0 0 57127 1 0 0 0 0 57128 1 0 0 0 0 33105 1 1 0 0 0 32103 1 0 0 0 0 32104 1 0 0 0 0 58129 1 0 0 0 0 58130 1 0 0 0 0 28100 1 0 0 0 0 28101 1 0 0 0 0 61134 1 1 0 0 0 27 99 1 6 0 0 0 63137 1 0 0 0 0 63138 1 0 0 0 0 62135 1 0 0 0 0 62136 1 0 0 0 0 26 98 1 1 0 0 0 25 96 1 0 0 0 0 25 97 1 0 0 0 0 12 84 1 1 0 0 0 9 79 1 6 0 0 0 10 80 1 0 0 0 0 10 81 1 0 0 0 0 10 82 1 0 0 0 0 8 77 1 0 0 0 0 8 78 1 0 0 0 0 6 75 1 6 0 0 0 4 73 1 1 0 0 0 2 69 1 1 0 0 0 1 66 1 0 0 0 0 1 67 1 0 0 0 0 1 68 1 0 0 0 0 3 70 1 0 0 0 0 3 71 1 0 0 0 0 3 72 1 0 0 0 0 60131 1 0 0 0 0 60132 1 0 0 0 0 60133 1 0 0 0 0 65139 1 0 0 0 0 65140 1 0 0 0 0 65141 1 0 0 0 0 7 76 1 0 0 0 0 M END > NP0036933 > NP-MRD > [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(O[C@@]3([H])C([H])([H])C([H])([H])[C@@]4(C([H])([H])[H])[C@@]([H])(C(=O)C([H])([H])[C@@]5([H])[C@]6([H])C([H])([H])[C@]([H])(O[C@]7([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]6(C([H])([H])[H])C([H])([H])C([H])([H])[C@]45[H])C3([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] > InChI=1S/C45H76O20/c1-17(2)31(50)25(49)10-18(3)30-26(62-43-40(59)36(55)33(52)28(15-47)64-43)13-22-20-12-24(48)23-11-19(6-8-44(23,4)21(20)7-9-45(22,30)5)61-42-39(58)37(56)34(53)29(65-42)16-60-41-38(57)35(54)32(51)27(14-46)63-41/h17-23,25-43,46-47,49-59H,6-16H2,1-5H3/t18-,19-,20+,21-,22-,23+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-/m0/s1 > LKFIEWSDXDXSSQ-FUIHJWOLSA-N > C45H76O20 > 937.083 > 936.492994847 > 20 > 141 > 101.28787649987302 > 0 > 13 > 0 > 0 > (1S,2R,5S,7S,10R,11S,13S,14R,15S)-14-[(2S,4R,5S)-4,5-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyl-13-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-8-one > -1.31 > -2.4097221693333326 > -2.68 > 1 > 7 > 0 > 12.201521476932328 > 11.75654130145155 > -3.6483775345890086 > 335.44 > 222.22020000000006 > 14 > 0 > 1.95e+00 g/l > (1S,2R,5S,7S,10R,11S,13S,14R,15S)-14-[(2S,4R,5S)-4,5-dihydroxy-6-methylheptan-2-yl]-2,15-dimethyl-13-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-8-one > 0 > NP0036933 > 6-dehydrochamaeliroside E $$$$