Accord 08271317192D 156164 0 0 0 0 0 0 0 0999 V2000 24.5423 6.7083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0878 6.9699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6333 6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8050 6.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2795 6.2538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8035 5.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8035 5.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3491 6.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3352 7.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8345 7.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8913 5.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4332 6.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9752 5.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5171 6.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0591 5.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1750 6.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7170 6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2589 6.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8009 6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3427 6.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8848 6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4267 6.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9686 6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0591 5.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9686 6.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4667 5.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9649 6.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4629 5.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9610 6.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4591 5.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5616 5.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0641 5.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5666 5.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0691 5.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5716 5.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0741 5.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5765 5.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0790 5.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5815 5.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0840 5.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5865 5.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0890 5.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5915 5.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0940 5.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5965 5.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0989 5.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5844 8.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0003 8.3795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4126 8.2255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1089 8.7516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6930 8.5847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4213 8.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0719 8.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9701 8.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7823 8.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2807 8.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7382 8.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3667 8.4033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7826 8.5703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1950 8.4163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8912 8.9424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4753 8.7755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2037 8.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8543 8.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7525 8.5349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8844 9.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0630 8.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5205 9.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1450 7.9914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5610 8.1584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9733 8.0045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6695 8.5306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2536 8.3637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9820 8.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6326 7.8950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5308 8.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3430 8.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8413 8.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2988 8.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5503 7.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7533 7.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2858 7.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9274 8.1822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3433 8.3492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7556 8.1953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4519 8.7214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0359 8.5545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7643 8.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4149 8.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3131 8.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4450 9.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6237 8.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0811 8.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7057 7.7704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1216 7.9374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5339 7.7834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2302 8.3095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8142 8.1426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5426 8.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1932 7.6740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0914 7.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9036 8.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4020 8.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8594 8.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1110 7.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3139 7.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8464 7.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4880 7.9612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9039 8.1282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3163 7.9742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0125 8.5003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5966 8.3334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3250 8.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9755 7.8648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8737 8.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0057 8.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1843 8.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6418 8.7030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2663 7.5494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6822 7.7164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0946 7.5624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7908 8.0885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3749 7.9216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1033 8.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7539 7.4529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6521 7.6810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4643 7.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9626 8.0755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4201 8.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6716 7.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8746 7.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4070 7.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0487 7.7402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4646 7.9072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8769 7.7532 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5731 8.2793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1572 8.1124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8856 8.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5362 7.6437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4344 7.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5663 8.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7450 8.2663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2024 8.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9229 7.9357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4444 7.5614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2236 6.9955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6194 7.0589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0977 7.4334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8112 7.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6997 7.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 6.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 7.2545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3187 7.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8253 7.6871 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 117121 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 > LMISSP0505BV05 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C102H182N4O48 > 2231.19 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261352 > - > - > Active (generated by computational methods) > - $$$$