Accord 08271317192D 151159 0 0 0 0 0 0 0 0999 V2000 24.5000 6.8649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0036 7.1506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5071 6.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7870 6.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2130 6.3684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9966 7.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6931 6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6931 5.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1967 6.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2739 7.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7269 7.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6966 6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1963 6.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6959 6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1956 6.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6953 6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0066 7.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5062 6.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0059 7.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5055 6.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0051 7.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5049 6.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0045 7.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5042 6.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6953 5.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5042 6.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9559 6.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4077 6.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8595 6.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3112 6.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7630 6.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1519 5.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6084 5.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0650 5.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5216 5.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9781 5.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4347 5.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8912 5.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3478 5.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8044 5.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2609 5.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7175 5.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1741 5.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5460 8.5079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9080 8.6903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2661 8.5221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.9343 9.0968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5723 8.9145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2756 9.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9862 8.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7827 8.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5776 8.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2143 9.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6217 9.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1236 8.7163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4856 8.8987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8437 8.7306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5119 9.3052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1499 9.1229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8532 9.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5639 8.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3603 8.8601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5044 9.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7919 9.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1993 9.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6969 8.2665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0588 8.4489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4169 8.2807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0851 8.8554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7231 8.6731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4264 8.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1371 8.1611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9336 8.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7284 8.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3651 8.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7725 9.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0473 8.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2689 7.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7582 8.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2745 8.4749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6365 8.6573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9945 8.4891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6627 9.0638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3007 8.8815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0040 9.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7147 8.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5112 8.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6553 9.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9427 9.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3501 9.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8477 8.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2097 8.2074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5678 8.0393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2359 8.6139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8739 8.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5773 8.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2879 7.9197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0844 8.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8793 8.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5159 8.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9233 8.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1981 7.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4198 7.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9091 7.7797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4253 8.2334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7873 8.4158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1454 8.2477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8135 8.8223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4516 8.6400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1549 8.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8655 8.1281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6620 8.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8061 9.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0935 8.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5009 9.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9985 7.7836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3605 7.9660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7186 7.7978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3868 8.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0248 8.1902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7281 8.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4387 7.6782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2352 7.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0301 8.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 8.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0741 8.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3489 7.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5706 7.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0599 7.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5761 7.9920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9381 8.1744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2962 8.0062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9644 8.5809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6024 8.3986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3057 8.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0163 7.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8128 8.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9569 8.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2444 8.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6518 8.8023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6671 7.8867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3790 7.3876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8215 7.5337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1279 7.3753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5556 7.8744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1854 7.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7987 7.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 7.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 6.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1131 7.7284 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 125131 1 0 0 0 0 142143 1 1 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 146151 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 142151 1 0 0 0 0 137142 1 0 0 0 0 M END > LMISSP0505CS03 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C98H174N4O47 > 2159.13 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261526 > - > - > Active (generated by computational methods) > - $$$$