16150419 -OEChem-06201305322D 141177 0 1 0 0 0 0 0999 V2000 8.1475 4.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8834 -1.1441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4334 -2.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9164 4.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1796 -3.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8647 -1.9842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7300 -1.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7669 5.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9536 -2.8832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 -0.4716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6014 4.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6472 1.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5787 -4.8912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6982 3.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4151 2.9619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3510 -5.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 -0.0845 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2749 -0.4862 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4316 2.8594 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2068 0.4155 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9229 -1.4555 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4758 3.8584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2066 -0.5849 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9388 -1.2758 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3189 3.3207 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9389 0.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 1.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 -1.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0386 0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 2.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7389 1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8328 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2306 3.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2552 -2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 1.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 2.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 4.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4154 -2.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 -0.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -1.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7503 0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 3.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4725 -2.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2329 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 4.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4084 -2.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -1.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 1.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5212 -2.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3455 4.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -2.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6722 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9222 -1.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8699 4.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2195 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0232 4.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 4.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7358 -3.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 -1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2754 3.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -2.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7077 2.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 0.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 -3.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1761 4.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7118 -3.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0088 4.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9321 3.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -3.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 2.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 -0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 4.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6743 -2.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0892 1.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2319 5.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7155 -0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5169 -3.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8990 4.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8233 -4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 5.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3260 0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9134 -4.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1903 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 1.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8619 4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 4.7094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6433 2.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4390 -5.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3986 -5.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3148 3.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7508 3.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 -3.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -3.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8131 -1.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2986 -0.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6992 5.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 4.7743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 -4.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2927 -3.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 1.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2863 1.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2689 5.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8619 3.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2934 -4.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 -3.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6194 -0.3797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7815 0.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5323 6.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 4.8602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2602 -5.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7946 -4.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8446 2.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0236 2.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3748 4.6692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6235 3.7485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9565 -5.7283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6296 -4.7490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2124 1.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0324 1.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2887 5.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7957 4.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0709 -6.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3847 -4.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9332 2.9764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7726 2.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4612 4.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2933 3.6172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 63 1 0 0 0 0 1 88 1 0 0 0 0 2 62 1 0 0 0 0 2 89 1 0 0 0 0 3 61 1 0 0 0 0 3 90 1 0 0 0 0 4 66 1 0 0 0 0 4 91 1 0 0 0 0 5 65 1 0 0 0 0 5 92 1 0 0 0 0 6 64 1 0 0 0 0 6 93 1 0 0 0 0 7 61 2 0 0 0 0 8 62 2 0 0 0 0 9 63 2 0 0 0 0 10 64 2 0 0 0 0 11 65 2 0 0 0 0 12 66 2 0 0 0 0 13 94 1 0 0 0 0 13100 1 0 0 0 0 14 95 1 0 0 0 0 14101 1 0 0 0 0 15 96 1 0 0 0 0 15102 1 0 0 0 0 16 99 1 0 0 0 0 16104 1 0 0 0 0 17 98 1 0 0 0 0 17105 1 0 0 0 0 18 97 1 0 0 0 0 18103 1 0 0 0 0 19 22 1 0 0 0 0 19 25 1 0 0 0 0 19 28 1 0 0 0 0 19 31 1 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 20 29 1 0 0 0 0 20 32 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 21 30 1 0 0 0 0 21 33 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 22 45 1 0 0 0 0 23 26 1 0 0 0 0 23 38 1 0 0 0 0 23 44 1 0 0 0 0 24 27 1 0 0 0 0 24 37 1 0 0 0 0 24 43 1 0 0 0 0 25 61 1 0 0 0 0 25 65 1 0 0 0 0 26 62 1 0 0 0 0 26 64 1 0 0 0 0 27 63 1 0 0 0 0 27 66 1 0 0 0 0 28 35 1 0 0 0 0 28 36 2 0 0 0 0 29 34 1 0 0 0 0 29 35 2 0 0 0 0 30 34 2 0 0 0 0 30 36 1 0 0 0 0 31 41 1 0 0 0 0 31 46 2 0 0 0 0 32 42 1 0 0 0 0 32 47 2 0 0 0 0 33 40 1 0 0 0 0 33 48 2 0 0 0 0 34 42 1 0 0 0 0 35 41 1 0 0 0 0 36 40 1 0 0 0 0 37 42 2 0 0 0 0 37 51 1 0 0 0 0 38 41 2 0 0 0 0 38 50 1 0 0 0 0 39 40 2 0 0 0 0 39 49 1 0 0 0 0 43 52 1 0 0 0 0 43 57 2 0 0 0 0 44 53 1 0 0 0 0 44 56 2 0 0 0 0 45 54 1 0 0 0 0 45 55 2 0 0 0 0 46 54 1 0 0 0 0 46 59 1 0 0 0 0 47 53 1 0 0 0 0 47 60 1 0 0 0 0 48 52 1 0 0 0 0 48 58 1 0 0 0 0 49 55 1 0 0 0 0 49 58 2 0 0 0 0 50 56 1 0 0 0 0 50 59 2 0 0 0 0 51 57 1 0 0 0 0 51 60 2 0 0 0 0 52 67 2 0 0 0 0 53 68 2 0 0 0 0 54 69 2 0 0 0 0 55 73 1 0 0 0 0 56 74 1 0 0 0 0 57 75 1 0 0 0 0 58 70 1 0 0 0 0 59 71 1 0 0 0 0 60 72 1 0 0 0 0 67 70 1 0 0 0 0 67 78 1 0 0 0 0 68 72 1 0 0 0 0 68 77 1 0 0 0 0 69 71 1 0 0 0 0 69 76 1 0 0 0 0 70 81 2 0 0 0 0 71 80 2 0 0 0 0 72 79 2 0 0 0 0 73 76 2 0 0 0 0 73 81 1 0 0 0 0 74 77 2 0 0 0 0 74 80 1 0 0 0 0 75 78 2 0 0 0 0 75 79 1 0 0 0 0 76 82 1 0 0 0 0 77 84 1 0 0 0 0 78 83 1 0 0 0 0 79 87 1 0 0 0 0 80 86 1 0 0 0 0 81 85 1 0 0 0 0 82 85 1 0 0 0 0 82 86 2 0 0 0 0 83 85 2 0 0 0 0 83 87 1 0 0 0 0 84 86 1 0 0 0 0 84 87 2 0 0 0 0 88 94 1 0 0 0 0 88110 1 0 0 0 0 88111 1 0 0 0 0 89 95 1 0 0 0 0 89108 1 0 0 0 0 89109 1 0 0 0 0 90 96 1 0 0 0 0 90106 1 0 0 0 0 90107 1 0 0 0 0 91 99 1 0 0 0 0 91116 1 0 0 0 0 91117 1 0 0 0 0 92 98 1 0 0 0 0 92114 1 0 0 0 0 92115 1 0 0 0 0 93 97 1 0 0 0 0 93112 1 0 0 0 0 93113 1 0 0 0 0 94122 1 0 0 0 0 94123 1 0 0 0 0 95120 1 0 0 0 0 95121 1 0 0 0 0 96118 1 0 0 0 0 96119 1 0 0 0 0 97124 1 0 0 0 0 97125 1 0 0 0 0 98126 1 0 0 0 0 98127 1 0 0 0 0 99128 1 0 0 0 0 99129 1 0 0 0 0 100105 1 0 0 0 0 100134 1 0 0 0 0 100135 1 0 0 0 0 101104 1 0 0 0 0 101132 1 0 0 0 0 101133 1 0 0 0 0 102103 1 0 0 0 0 102130 1 0 0 0 0 102131 1 0 0 0 0 103136 1 0 0 0 0 103137 1 0 0 0 0 104138 1 0 0 0 0 104139 1 0 0 0 0 105140 1 0 0 0 0 105141 1 0 0 0 0 M END > 16150419 > 0 > 4100 > 18 > 0 > 0 > AAADcfB8PgAAAAAAAAAAAAAAGDAAAYMGDBgwYMGDBgwAAAABVAAAGgAAAAAADgCgmAIACMAABACIAgDQCAACAAAgAAAAiAEAAIgJIDaIEBCCIAAloAAKiAeIyPCPwAACAAAQAACAAAQAACAAAQAACAAAAA== > InChI=1S/C87H36O18/c88-73-85-77(92)104-17-11-98-5-2-96-9-15-102-75(90)87-78(93)105-18-12-99-6-3-95-8-14-101-74(89)86(76(91)103-16-10-97-4-1-94-7-13-100-73)80-62-44-35-27-21-23-19-22-20-24(21)30-36-26(20)31-37-28(22)34-25(19)32-38(29(23)35)47(62)53-40(32)49-43(34)61-46(37)52-41(31)51-45(36)63-48-39(30)33(27)42-50(44)65(80)57-60-71-58-55(68(53)83(71,80)86)64(49)79(61,85)82(85)67(52)56-59(70(58)82)72(60)84(87,69(57)54(42)48)81(63,87)66(51)56/h1-18H2 > CFRARNRVDCYNJB-UHFFFAOYSA-N > 8.7 > 1368.190164 > C87H36O18 > 1369.20594 > C1COCCOC(=O)C23C(=O)OCCOCCOCCOC(=O)C45C(=O)OCCOCCOCCOC(=O)C6(C(=O)OCCO1)C78C69C1=C6C%10=C%11C%12=C%13C22C%11=C1C1=C9C9=C%11C44C55C%14=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%18C%16=C%16C(=C%13C%13=C%18C23C1=C%11C%18=C5C%15=C%16%13)C%22=C%12C%21=C%10C1=C6C7=C2C(=C%201)C%19=C1C%17=C%14C3=C4C9=C8C2=C13 > C1COCCOC(=O)C23C(=O)OCCOCCOCCOC(=O)C45C(=O)OCCOCCOCCOC(=O)C6(C(=O)OCCO1)C78C69C1=C6C%10=C%11C%12=C%13C22C%11=C1C1=C9C9=C%11C44C55C%14=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%18C%16=C%16C(=C%13C%13=C%18C23C1=C%11C%18=C5C%15=C%16%13)C%22=C%12C%21=C%10C1=C6C7=C2C(=C%201)C%19=C1C%17=C%14C3=C4C9=C8C2=C13 > 213 > 1368.190164 > 0 > 105 > 0 > 9 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 19 31 3 20 32 3 21 33 3 22 45 3 23 44 3 24 43 3 25 61 3 26 62 3 27 63 3 28 35 8 28 36 8 29 34 8 29 35 8 30 34 8 30 36 8 31 41 8 31 46 8 32 42 8 32 47 8 33 40 8 33 48 8 34 42 8 35 41 8 36 40 8 37 42 8 37 51 8 38 41 8 38 50 8 39 40 8 39 49 8 43 52 8 43 57 8 44 53 8 44 56 8 45 54 8 45 55 8 46 54 8 46 59 8 47 53 8 47 60 8 48 52 8 48 58 8 49 55 8 49 58 8 50 56 8 50 59 8 51 57 8 51 60 8 52 67 8 53 68 8 54 69 8 55 73 8 56 74 8 57 75 8 58 70 8 59 71 8 60 72 8 67 70 8 67 78 8 68 72 8 68 77 8 69 71 8 69 76 8 70 81 8 71 80 8 72 79 8 73 76 8 73 81 8 74 77 8 74 80 8 75 78 8 75 79 8 76 82 8 77 84 8 78 83 8 79 87 8 80 86 8 81 85 8 82 85 8 82 86 8 83 85 8 83 87 8 84 86 8 84 87 8 $$$$