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0 0 0 0 0 0 0 8.0043 0.1885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3607 2.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8521 2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8808 3.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6097 -0.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4568 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9104 1.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5329 -1.4522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6216 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6069 4.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3580 -2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6311 -1.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -3.1942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -1.6942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -2.6942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1823 5.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1064 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0297 -4.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -2.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1646 1.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7021 4.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4437 -0.5387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8283 0.8863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1253 -0.4196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8694 3.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1141 2.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0876 4.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3213 3.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7239 -0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0413 0.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3675 1.4308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3292 2.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4532 2.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4854 -2.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6216 1.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 1.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6216 0.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9225 3.5268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1873 4.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4858 1.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6983 -0.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9586 -2.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6142 -1.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3632 -1.3251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0720 -2.1522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8990 -2.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5857 5.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6530 6.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7788 6.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4115 -4.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9821 -5.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6478 -4.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -5.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -5.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 -1.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -2.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -2.3702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -0.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -0.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 1 0 0 0 31 1 1 6 0 0 0 20 2 1 1 0 0 0 2 71 1 0 0 0 0 21 3 1 6 0 0 0 3 73 1 0 0 0 0 4 30 1 0 0 0 0 4 38 1 0 0 0 0 5 31 1 0 0 0 0 5 36 1 0 0 0 0 6 32 1 0 0 0 0 6 40 1 0 0 0 0 34 7 1 6 0 0 0 7 88 1 0 0 0 0 35 8 1 1 0 0 0 8 41 1 0 0 0 0 37 9 1 6 0 0 0 9 89 1 0 0 0 0 10 39 1 0 0 0 0 10 42 1 0 0 0 0 11 40 2 0 0 0 0 12 41 2 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 13 23 1 0 0 0 0 13 27 1 6 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 14 49 1 1 0 0 0 15 21 1 0 0 0 0 15 29 1 6 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 23 2 0 0 0 0 17 19 1 0 0 0 0 17 25 2 0 0 0 0 18 24 1 0 0 0 0 18 30 1 6 0 0 0 18 51 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 20 26 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 22 24 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 1 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 34 1 0 0 0 0 31 72 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 34 35 1 0 0 0 0 34 79 1 0 0 0 0 35 37 1 0 0 0 0 35 80 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 1 0 0 0 36 81 1 0 0 0 0 37 82 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 43 1 0 0 0 0 41 44 1 0 0 0 0 42 45 1 0 0 0 0 42 46 1 0 0 0 0 42 47 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 47 48 2 0 0 0 0 47102 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 M END > 447573 > 1 > 1240 > 12 > 4 > 14 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAYIAAAAkAAAAAAAQAAAAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAICAAAAAgRFAIAIQAiUAAFwAAPIAPA4PwPgAAAAAAAAAAAAAAAAAAAAQAAAAAAAA== > [(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-8-[(2S,3R,4S,5R,6R)-4-acetoxy-6-(1,1-dimethylallyloxymethyl)-3,5-dihydroxy-tetrahydropyran-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] acetate > acetic acid [(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-8-[[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)-2-oxanyl]oxy]-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] ester > [(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-8-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] acetate > [(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-8-[(2S,3R,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(2-methylbut-3-en-2-yloxymethyl)oxan-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] acetate > [(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-8-[(2S,3R,4S,5R,6R)-4-acetyloxy-6-(2-methylbut-3-en-2-yloxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-14-(methoxymethyl)-3,10-dimethyl-4,9-bis(oxidanyl)-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] ethanoate > acetic acid [(2S)-2-[(1E,3R,4S,8R,9R,10R,11S,14S)-8-[(2S,3R,4S,5R,6R)-4-acetoxy-6-(1,1-dimethylallyloxymethyl)-3,5-dihydroxy-tetrahydropyran-2-yl]oxy-4,9-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]propyl] ester > InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1 > KXTYBXCEQOANSX-WYKQKOHHSA-N > 1 > 680.37717722 > C36H56O12 > 680.8 > CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COC > C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC > 170 > 680.37717722 > 0 > 48 > 13 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 19 1 5 31 1 6 13 27 6 14 49 5 15 29 6 18 30 6 20 2 5 28 33 5 21 3 6 36 39 5 34 7 6 35 8 5 37 9 6 $$$$