Accord 08271317192D 156164 0 0 0 0 0 0 0 0999 V2000 24.3418 7.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6883 7.8320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0347 7.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7196 6.8023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9640 6.8023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2795 6.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2795 5.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6260 6.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0441 8.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3241 8.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9677 6.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3090 6.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6504 6.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9917 6.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3331 6.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3758 7.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7171 7.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0584 7.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3997 7.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7410 7.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0825 7.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4237 7.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7650 7.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3331 5.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7650 6.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0433 6.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3216 6.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5999 6.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8781 6.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1565 6.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6177 5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9023 5.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1869 5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4715 5.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7561 5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0407 5.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3253 5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6099 5.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8944 5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1790 5.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4636 5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7482 5.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0328 5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3174 5.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6020 5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8866 5.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4024 9.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5625 9.8589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7174 9.6375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2806 10.3941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1205 10.1541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7299 10.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6655 9.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0811 9.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8111 10.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9656 10.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1855 10.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2134 9.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3735 10.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5285 9.9119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0917 10.6684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9316 10.4284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5410 10.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4765 9.7545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8921 10.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0818 11.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7767 10.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9966 10.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0187 9.3009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1788 9.5411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3337 9.3197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8969 10.0762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7368 9.8362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3463 10.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2818 9.1623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6974 9.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4274 9.8052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5820 10.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8018 10.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1635 8.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4554 8.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7831 8.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8297 9.5753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9899 9.8155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1448 9.5941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7080 10.3506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5479 10.1106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1573 10.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0928 9.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5085 9.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6981 10.8426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3930 10.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6129 10.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6350 8.9831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7951 9.2233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9501 9.0019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5132 9.7584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3531 9.5184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9626 9.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8981 8.8444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3137 9.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0437 9.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1983 9.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4181 10.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7799 8.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0717 8.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3994 8.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4461 9.2575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6062 9.4976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7611 9.2762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3243 10.0327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1642 9.7927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7736 10.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7091 9.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1248 9.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3145 10.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0093 10.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 10.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0153 11.1937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4146 11.8279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5745 12.0675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5836 12.9411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1844 12.3069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9630 12.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3104 11.4495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1136 12.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0414 12.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0245 12.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5109 12.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1148 11.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2595 11.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7873 11.5446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4438 12.7169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8431 13.3511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0031 13.5907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0122 14.4643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6129 13.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3915 14.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7390 12.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5422 14.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2542 14.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4530 13.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9394 14.2545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8066 14.1534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9667 14.3936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1217 14.1722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6848 14.9287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5247 14.6887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1342 14.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0697 14.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4853 14.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 15.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3699 14.9100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5897 15.2201 0.0000 O 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 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 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 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 95121 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 129135 1 0 0 0 0 146147 1 1 0 0 0 148147 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 146155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 151156 1 0 0 0 0 142146 1 0 0 0 0 M END > LMISSP0505BO05 > > Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C102H182N4O48 > 2231.19 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261296 > - > - > Active (generated by computational methods) > - $$$$