Accord 08271317192D 158166 0 0 0 0 0 0 0 0999 V2000 24.3418 7.4561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6884 7.8322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0348 7.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7196 6.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9640 6.8026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2795 6.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2795 5.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6261 6.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0441 8.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3241 8.4628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9679 6.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3092 6.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6506 6.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9919 6.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3333 6.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3759 7.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7172 7.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0586 7.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3999 7.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7412 7.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0827 7.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4240 7.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7653 7.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3333 5.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7653 6.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0436 6.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3220 6.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6003 6.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8785 6.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1569 6.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6180 5.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9026 5.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1872 5.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4718 5.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7565 5.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0411 5.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3257 5.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6103 5.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8950 5.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1796 5.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4642 5.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7488 5.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0334 5.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3181 5.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 5.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8873 5.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 5.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4566 5.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4024 9.6190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5625 9.8591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7175 9.6377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2807 10.3942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1206 10.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7300 10.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6655 9.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0812 9.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8112 10.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9657 10.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1856 10.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2136 9.8933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3737 10.1335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5287 9.9121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0919 10.6685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9318 10.4286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5412 10.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4767 9.7547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8924 10.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0821 11.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7769 10.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9968 10.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0190 9.3011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1791 9.5413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3341 9.3199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8973 10.0764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7372 9.8364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3466 10.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2821 9.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6978 9.4904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4278 9.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5823 10.0577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8022 10.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1639 8.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4557 8.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7834 8.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8302 9.5755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9903 9.8156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1453 9.5942 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7085 10.3507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5484 10.1108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1578 10.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0933 9.4368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5090 9.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6987 10.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3935 10.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6134 10.6422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6356 8.9833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7957 9.2235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9507 9.0021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5139 9.7585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3538 9.5186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9632 9.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8987 8.8447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3144 9.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0444 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1989 9.7399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4188 10.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7805 8.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0723 8.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4000 8.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4468 9.2577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6069 9.4978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7619 9.2764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3251 10.0329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1650 9.7929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7744 10.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7099 9.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1256 9.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3153 10.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0101 10.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 10.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0158 11.1938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4151 11.8280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5751 12.0676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5842 12.9411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1849 12.3070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9635 12.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3110 11.4496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1142 12.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0420 12.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0250 12.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5114 12.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1153 11.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2600 11.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7878 11.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4444 12.7169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8438 13.3511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0037 13.5907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0128 14.4642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6136 13.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3922 14.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7396 12.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5428 14.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2548 14.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4536 13.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9400 14.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8073 14.1534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9675 14.3935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1225 14.1722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6857 14.9286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5255 14.6887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1350 14.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0704 14.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4861 14.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6758 15.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3706 14.9100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5905 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 97123 1 0 0 0 0 137138 1 1 0 0 0 139138 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 131137 1 0 0 0 0 148149 1 1 0 0 0 150149 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 148157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 153158 1 0 0 0 0 144148 1 0 0 0 0 M END > LMISSP0505BO06 > > Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C104H186N4O48 > 2259.22 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261297 > - > - > Active (generated by computational methods) > - $$$$