Accord 08271317192D 149157 0 0 0 0 0 0 0 0999 V2000 24.5000 6.8646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0036 7.1503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5071 6.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7870 6.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2130 6.3681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9966 7.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6930 6.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6930 5.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1967 6.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2738 7.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7269 7.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6966 6.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1962 6.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6959 6.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1955 6.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6953 6.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0066 7.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5062 6.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0059 7.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5055 6.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0051 7.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5049 6.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0044 7.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5041 6.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6953 5.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5041 6.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9558 6.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4076 6.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8594 6.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3111 6.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7629 6.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1518 5.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6084 5.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0649 5.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5215 5.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9780 5.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4346 5.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8911 5.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3477 5.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8043 5.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2608 5.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5460 8.5076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9080 8.6901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2661 8.5219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.9343 9.0965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5723 8.9143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2756 9.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9862 8.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7827 8.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5776 8.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2143 9.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6217 9.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1236 8.7160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4856 8.8985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8437 8.7303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5119 9.3050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1499 9.1227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8532 9.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5638 8.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3603 8.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5044 9.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7919 9.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1992 9.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6968 8.2662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0588 8.4486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4169 8.2804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0850 8.8551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7230 8.6728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4264 8.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1370 8.1609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9335 8.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7283 8.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3650 8.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7724 9.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0472 8.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2689 7.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7582 8.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2744 8.4746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6364 8.6570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9944 8.4888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6626 9.0635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3006 8.8812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0039 9.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7146 8.3693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5111 8.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6551 9.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9426 9.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3500 9.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8476 8.0247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2095 8.2072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5676 8.0390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2358 8.6136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8738 8.4314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5771 8.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2878 7.9194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0842 8.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8791 8.4078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5158 8.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9232 8.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1979 7.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4196 7.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9089 7.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4251 8.2331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7871 8.4156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1452 8.2474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8134 8.8221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4514 8.6398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1547 8.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8653 8.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6618 8.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8059 9.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0934 8.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5008 9.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9983 7.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3603 7.9657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7184 7.7975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3866 8.3722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0246 8.1899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7279 8.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4385 7.6780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 7.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 8.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6666 8.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0740 8.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3487 7.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5704 7.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0597 7.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5759 7.9917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9379 8.1741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2960 8.0059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9641 8.5806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6022 8.3983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3055 8.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0161 7.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8126 8.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9567 8.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2441 8.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 8.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6669 7.8864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3787 7.3874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8213 7.5334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1276 7.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5554 7.8741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1851 7.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7985 7.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 7.2419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1276 6.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1128 7.7281 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 123129 1 0 0 0 0 140141 1 1 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 144149 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 140149 1 0 0 0 0 135140 1 0 0 0 0 M END > LMISSP0505CS02 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C96H170N4O47 > 2131.10 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261525 > - > - > Active (generated by computational methods) > - $$$$