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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -7.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -7.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 -7.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 -7.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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-6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -8.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -8.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -8.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -8.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 5.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 4.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -8.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -8.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 5.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 6.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 4.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 4.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 6.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 5.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -8.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -8.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 7.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 7.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -8.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 8.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 7.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5368 -8.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3837 -7.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.1568 -7.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 8.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 9.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 8.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 11 2 1 6 0 0 0 2 15 1 0 0 0 0 9 3 1 1 0 0 0 3 59 1 0 0 0 0 10 4 1 6 0 0 0 4 60 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 7 15 2 0 0 0 0 8 20 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 52 1 0 0 0 0 10 12 1 0 0 0 0 10 53 1 0 0 0 0 11 13 1 0 0 0 0 11 54 1 0 0 0 0 12 14 1 1 0 0 0 12 55 1 0 0 0 0 13 56 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 19 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 21 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 22 23 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 23 25 1 0 0 0 0 23 74 1 0 0 0 0 23 75 1 0 0 0 0 24 27 1 0 0 0 0 24 76 1 0 0 0 0 24 77 1 0 0 0 0 25 26 1 0 0 0 0 25 78 1 0 0 0 0 25 79 1 0 0 0 0 26 28 1 0 0 0 0 26 80 1 0 0 0 0 26 81 1 0 0 0 0 27 30 1 0 0 0 0 27 82 1 0 0 0 0 27 83 1 0 0 0 0 28 29 1 0 0 0 0 28 84 1 0 0 0 0 28 85 1 0 0 0 0 29 31 1 0 0 0 0 29 86 1 0 0 0 0 29 87 1 0 0 0 0 30 39 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 31 46 1 0 0 0 0 31 90 1 0 0 0 0 31 91 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 92 1 0 0 0 0 32 93 1 0 0 0 0 33 38 1 0 0 0 0 33 94 1 0 0 0 0 33 95 1 0 0 0 0 34 41 1 0 0 0 0 34 98 1 0 0 0 0 34 99 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 96 1 0 0 0 0 35 97 1 0 0 0 0 36 40 1 0 0 0 0 36100 1 0 0 0 0 36101 1 0 0 0 0 37 42 1 0 0 0 0 37102 1 0 0 0 0 37103 1 0 0 0 0 38 43 1 0 0 0 0 38104 1 0 0 0 0 38105 1 0 0 0 0 39 44 2 0 0 0 0 39108 1 0 0 0 0 40 45 1 0 0 0 0 40106 1 0 0 0 0 40107 1 0 0 0 0 41 44 1 0 0 0 0 41109 1 0 0 0 0 41110 1 0 0 0 0 42 47 1 0 0 0 0 42111 1 0 0 0 0 42112 1 0 0 0 0 43 48 1 0 0 0 0 43113 1 0 0 0 0 43114 1 0 0 0 0 44117 1 0 0 0 0 45 49 1 0 0 0 0 45115 1 0 0 0 0 45116 1 0 0 0 0 46 47 2 0 0 0 0 46118 1 0 0 0 0 47119 1 0 0 0 0 48 50 1 0 0 0 0 48120 1 0 0 0 0 48121 1 0 0 0 0 49 51 1 0 0 0 0 49122 1 0 0 0 0 49123 1 0 0 0 0 50124 1 0 0 0 0 50125 1 0 0 0 0 50126 1 0 0 0 0 51127 1 0 0 0 0 51128 1 0 0 0 0 51129 1 0 0 0 0 M END > 6441137 > 1 > 874 > 8 > 2 > 36 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAACAAACBSwgAMCCAAABgCIACDSCAAAAAAgAAAICAEAAAgREBIAAQAiQAAFgAAPAAPI6KyAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(2R,3S,4S,5R)-3,4-dihydroxy-6-methoxy-5-[(E)-octadec-9-enoyl]oxy-tetrahydropyran-2-yl]methyl (E)-octadec-9-enoate > (E)-9-octadecenoic acid [(2R,3S,4S,5R)-3,4-dihydroxy-6-methoxy-5-[(E)-1-oxooctadec-9-enoxy]-2-oxanyl]methyl ester > [(2R,3S,4S,5R)-3,4-dihydroxy-6-methoxy-5-[(E)-octadec-9-enoyl]oxyoxan-2-yl]methyl (E)-octadec-9-enoate > [(2R,3S,4S,5R)-3,4-dihydroxy-6-methoxy-5-[(E)-octadec-9-enoyl]oxyoxan-2-yl]methyl (E)-octadec-9-enoate > [(2R,3S,4S,5R)-6-methoxy-5-[(E)-octadec-9-enoyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methyl (E)-octadec-9-enoate > (E)-octadec-9-enoic acid [(2R,3S,4S,5R)-3,4-dihydroxy-6-methoxy-5-[(E)-octadec-9-enoyl]oxy-tetrahydropyran-2-yl]methyl ester > InChI=1S/C43H78O8/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(44)49-36-37-40(46)41(47)42(43(48-3)50-37)51-39(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,37,40-43,46-47H,4-17,22-36H2,1-3H3/b20-18+,21-19+/t37-,40-,41+,42-,43?/m1/s1 > GCHVTEWZZDWDIA-RIRQADADSA-N > 13.5 > 722.56966944 > C43H78O8 > 723.1 > CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)OC(=O)CCCCCCCC=CCCCCCCCC)O)O > CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC)OC(=O)CCCCCCC/C=C/CCCCCCCC)O)O > 112 > 722.56966944 > 0 > 51 > 4 > 1 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 5 11 2 6 9 3 5 10 4 6 13 5 3 $$$$