Accord 08271317192D 155163 0 0 0 0 0 0 0 0999 V2000 24.3404 8.5567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6861 8.9334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0315 8.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7187 7.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9621 7.9023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 6.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6223 7.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0423 9.5504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3213 9.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9632 7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3035 7.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6440 7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9845 7.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3249 7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6653 7.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0058 7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3462 7.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6866 7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0271 7.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3675 7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3760 6.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0363 6.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0447 5.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3870 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7257 5.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0680 5.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4065 5.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7489 5.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0873 5.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4298 5.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7683 5.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3717 8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7122 8.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0525 8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3930 8.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7334 8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0739 8.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4143 8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7548 8.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0952 8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4357 8.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7761 8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1164 8.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4570 8.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7974 8.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 10.7243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5594 10.9649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7125 10.7431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2748 11.5012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1165 11.2607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7251 11.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6626 10.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0748 10.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8042 11.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 11.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1816 11.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2053 10.9992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3636 11.2399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5168 11.0180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0790 11.7761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9207 11.5357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5293 11.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4668 10.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8791 11.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0691 12.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7676 11.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9858 12.0682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0037 10.4057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1620 10.6464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3152 10.4245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8774 11.1827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7191 10.9422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3277 11.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2652 10.2668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6775 10.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4069 10.9110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5661 11.1640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7843 11.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1467 10.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4392 9.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7655 10.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8021 9.8123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9604 10.0529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1136 9.8311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6758 10.5892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5175 10.3487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1261 10.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0636 9.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4759 10.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6660 11.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3645 10.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5827 10.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6006 9.2188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7589 9.4595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9120 9.2376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4742 9.9957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3159 9.7552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9245 9.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8621 9.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2743 9.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0037 9.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1629 9.9770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3811 10.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7436 8.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0360 8.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3623 8.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3990 8.6253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5573 8.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7104 8.6441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2727 9.4023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1144 9.1618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7230 9.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6605 8.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0727 8.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2628 9.8954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9613 9.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1795 9.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1998 8.4864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8196 7.8280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0842 8.0207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1691 7.8117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7334 8.4702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2449 8.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3734 7.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6996 7.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1691 7.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4688 8.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9838 11.4341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3818 12.0697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5399 12.3098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5491 13.1852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1511 12.5497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9292 12.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2774 11.6905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 12.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0057 13.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9930 12.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4783 12.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0813 11.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2264 11.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7531 11.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2027 11.9984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3610 12.2391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5141 12.0172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0764 12.7753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9181 12.5348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5267 12.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4642 11.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8764 12.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0665 13.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7650 12.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9832 13.0674 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 16 17 1 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 24 25 2 0 0 0 0 25 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 78 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 103110 1 0 0 0 0 121122 1 1 0 0 0 122123 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 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 116121 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 137142 1 0 0 0 0 142143 1 0 0 0 0 142144 2 0 0 0 0 95131 1 0 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 148147 1 1 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149154 1 0 0 0 0 145154 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 150155 1 0 0 0 0 138145 1 0 0 0 0 M END > LMISSP0504AY07 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C102H180N4O47 > 2213.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260810 > - > - > Active (generated by computational methods) > - $$$$