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0 -5.6122 -0.9795 1.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0543 -0.2117 0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4867 -2.4938 -0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4609 -2.1169 -3.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2409 -2.1022 -3.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3299 -3.5927 -2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1864 -2.2670 -1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7448 -2.4645 -2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 -4.1010 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5676 -3.8787 0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7142 -2.1161 0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5767 -2.7212 1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 -2.1598 1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2928 -3.2487 -0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3921 -3.9152 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5496 -1.0084 2.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8073 -1.8106 -1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9970 -3.2172 -0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8969 -0.2954 1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2149 0.2089 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0069 0.2622 -0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 27 43 1 0 0 0 0 43 44 1 0 0 0 0 21 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 7 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 56 60 2 0 0 0 0 60 61 1 0 0 0 0 61 4 1 0 0 0 0 20 13 1 0 0 0 0 39 29 1 0 0 0 0 61 51 1 0 0 0 0 47 15 1 0 0 0 0 35 30 1 0 0 0 0 1 62 1 0 0 0 0 1 63 1 0 0 0 0 1 64 1 0 0 0 0 2 65 1 1 0 0 0 3 66 1 0 0 0 0 3 67 1 0 0 0 0 3 68 1 0 0 0 0 4 69 1 1 0 0 0 5 70 1 0 0 0 0 5 71 1 0 0 0 0 6 72 1 0 0 0 0 6 73 1 0 0 0 0 8 74 1 0 0 0 0 9 75 1 0 0 0 0 9 76 1 0 0 0 0 14 77 1 0 0 0 0 15 78 1 1 0 0 0 16 79 1 6 0 0 0 20 80 1 0 0 0 0 20 81 1 0 0 0 0 22 82 1 0 0 0 0 23 83 1 0 0 0 0 23 84 1 0 0 0 0 28 85 1 0 0 0 0 29 86 1 1 0 0 0 30 87 1 6 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 36 90 1 0 0 0 0 37 91 1 0 0 0 0 37 92 1 0 0 0 0 38 93 1 0 0 0 0 38 94 1 0 0 0 0 39 95 1 6 0 0 0 40 96 1 6 0 0 0 41 97 1 0 0 0 0 41 98 1 0 0 0 0 41 99 1 0 0 0 0 42100 1 0 0 0 0 42101 1 0 0 0 0 42102 1 0 0 0 0 43103 1 0 0 0 0 43104 1 0 0 0 0 44105 1 0 0 0 0 45106 1 0 0 0 0 45107 1 0 0 0 0 46108 1 0 0 0 0 46109 1 0 0 0 0 47110 1 6 0 0 0 48111 1 6 0 0 0 49112 1 0 0 0 0 49113 1 0 0 0 0 49114 1 0 0 0 0 50115 1 0 0 0 0 50116 1 0 0 0 0 50117 1 0 0 0 0 51118 1 1 0 0 0 55119 1 0 0 0 0 55120 1 0 0 0 0 59121 1 0 0 0 0 60122 1 0 0 0 0 61123 1 6 0 0 0 M END > NP0020723 > NP-MRD > [H]OC(=O)C1=C([H])[C@]2([H])[C@]([H])(C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])OC(=O)C3=C([H])[C@]4([H])[C@]([H])(C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])OC(=O)C(=C(/[H])[C@@]5([H])[C@]6([H])C(=O)OC([H])([H])[C@]6(O[H])C([H])([H])C([H])([H])[C@]5([H])C([H])(C([H])([H])[H])C([H])([H])[H])\C([H])([H])O[H])[C@@]4([H])C(=O)OC3([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]2([H])C(=O)OC1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C45H62O16/c1-22(2)28-7-12-45(56)21-61-42(53)36(45)31(28)13-25(16-46)38(49)59-19-43(54)11-9-30(24(5)6)33-15-27(18-58-41(52)35(33)43)39(50)60-20-44(55)10-8-29(23(3)4)32-14-26(37(47)48)17-57-40(51)34(32)44/h13-15,22-24,28-36,46,54-56H,7-12,16-21H2,1-6H3,(H,47,48)/b25-13+/t28-,29-,30-,31-,32-,33-,34-,35-,36-,43-,44-,45-/m1/s1 > OZSWIYLDENFVQM-ACQBYUCJSA-N > C45H62O16 > 858.975 > 858.403785916 > 11 > 123 > 90.71951688281683 > 0 > 5 > 0 > 0 > (5aS,6R,9S,9aS)-9-{[(5aS,6R,9S,9aS)-9-({[(2E)-3-[(3aS,4S,5R,7aS)-7a-hydroxy-3-oxo-5-(propan-2-yl)-octahydro-2-benzofuran-4-yl]-2-(hydroxymethyl)prop-2-enoyl]oxy}methyl)-9-hydroxy-1-oxo-6-(propan-2-yl)-1,3,5a,6,7,8,9,9a-octahydro-2-benzoxepine-4-carbonyloxy]methyl}-9-hydroxy-1-oxo-6-(propan-2-yl)-1,3,5a,6,7,8,9,9a-octahydro-2-benzoxepine-4-carboxylic acid > 2.68 > 3.4294317279999986 > -5.03 > 1 > 6 > -1 > 13.003893461574233 > 4.1369486292817506 > -2.849746830450263 > 249.71999999999994 > 216.18680000000012 > 14 > 0 > 7.97e-03 g/l > (5aS,6R,9S,9aS)-9-{[(5aS,6R,9S,9aS)-9-({[(2E)-3-[(3aS,4S,5R,7aS)-7a-hydroxy-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl]-2-(hydroxymethyl)prop-2-enoyl]oxy}methyl)-9-hydroxy-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carbonyloxy]methyl}-9-hydroxy-6-isopropyl-1-oxo-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid > 0 > NP0020723 > Trivirensol C $$$$