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0 0 0 0 0 0 7.8046 -0.2861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6921 1.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8762 5.4061 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7722 5.9373 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0361 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6723 4.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 0.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6763 5.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7522 3.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8323 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0322 3.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 -0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7497 3.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9223 5.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 7.0222 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9014 7.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 7.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8046 -0.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 -1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 6.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 7.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 6.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -3.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -3.8322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -2.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -3.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -4.8322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 -6.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -6.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.8322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4398 2.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3314 0.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2921 2.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8824 2.9507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9079 0.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3017 1.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3466 5.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4251 2.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 2.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8791 3.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2836 4.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7398 1.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 0.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2868 5.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8876 6.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8623 2.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3624 3.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 3.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4046 -1.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 4.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 2.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 2.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3199 -0.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 -0.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6444 3.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3607 3.5928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 4.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 6.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 5.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3128 6.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 8.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4319 8.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3855 -0.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6922 0.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7767 -1.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6254 -1.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -0.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9486 5.9139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1657 6.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 6.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9202 8.1842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0699 8.3981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 7.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 7.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2816 6.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 6.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6424 8.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9312 -1.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -4.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -5.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -6.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -6.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -5.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 44 1 0 0 0 0 2 36 1 0 0 0 0 2102 1 0 0 0 0 3 39 1 0 0 0 0 3104 1 0 0 0 0 4 44 1 0 0 0 0 4 47 1 0 0 0 0 5 45 1 0 0 0 0 5 49 1 0 0 0 0 6 46 1 0 0 0 0 6110 1 0 0 0 0 7 48 1 0 0 0 0 7111 1 0 0 0 0 8 49 1 0 0 0 0 8 53 1 0 0 0 0 9 50 1 0 0 0 0 9114 1 0 0 0 0 10 50 2 0 0 0 0 11 51 1 0 0 0 0 11118 1 0 0 0 0 12 52 1 0 0 0 0 12119 1 0 0 0 0 13 54 1 0 0 0 0 13120 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 55 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 26 1 0 0 0 0 17 34 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 56 1 0 0 0 0 19 22 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 23 1 0 0 0 0 20 31 2 0 0 0 0 21 30 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 23 61 1 0 0 0 0 24 28 1 0 0 0 0 24 36 1 0 0 0 0 24 41 1 0 0 0 0 25 31 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 28 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 33 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 33 1 0 0 0 0 30 73 1 0 0 0 0 31 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 37 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 38 1 0 0 0 0 36 85 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 37 43 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 44 45 1 0 0 0 0 44103 1 0 0 0 0 45 46 1 0 0 0 0 45105 1 0 0 0 0 46 48 1 0 0 0 0 46106 1 0 0 0 0 47 48 1 0 0 0 0 47 50 1 0 0 0 0 47107 1 0 0 0 0 48108 1 0 0 0 0 49 51 1 0 0 0 0 49109 1 0 0 0 0 51 52 1 0 0 0 0 51112 1 0 0 0 0 52 54 1 0 0 0 0 52113 1 0 0 0 0 53 54 1 0 0 0 0 53115 1 0 0 0 0 53116 1 0 0 0 0 54117 1 0 0 0 0 M END > 71264311 > 1 > 1470 > 13 > 8 > 6 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAiDSCAIAAAAgAAAACAFAAAgREBYAAQQiQAAFoAAPAAPK7PxPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > 3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-carboxylic acid > 3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanecarboxylic acid > 3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid > 3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid > 6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-bis(oxidanyl)-5-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-2-carboxylic acid > 3,4-dihydroxy-6-[(9-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-4-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-5-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C41H66O13/c1-36(2)16-21-20-8-9-24-38(4)12-11-26(39(5,19-42)23(38)10-13-41(24,7)40(20,6)15-14-37(21,3)25(44)17-36)52-35-32(29(47)28(46)31(53-35)33(49)50)54-34-30(48)27(45)22(43)18-51-34/h8,21-32,34-35,42-48H,9-19H2,1-7H3,(H,49,50) > LASVNNIDKPXXMG-UHFFFAOYSA-N > 3.5 > 766.45034216 > C41H66O13 > 767.0 > CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(CO7)O)O)O)C)C > CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(CO7)O)O)O)C)C > 216 > 766.45034216 > 0 > 54 > 0 > 19 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 30 1 3 44 1 3 51 11 3 52 12 3 54 13 3 14 29 3 15 25 3 16 32 3 17 34 3 18 22 3 36 2 3 21 40 3 23 35 3 24 41 3 47 50 3 45 5 3 49 5 3 46 6 3 48 7 3 $$$$