Accord 08271317192D 134141 0 0 0 0 0 0 0 0999 V2000 24.3075 7.5834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6200 7.9792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9324 7.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7050 6.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9100 6.8959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1899 6.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1899 5.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5024 6.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9943 8.6275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2368 8.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8098 6.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1168 6.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4238 6.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7308 6.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0379 6.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2391 7.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5461 7.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8531 7.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1601 7.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4670 7.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7743 7.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0812 7.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3882 7.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0379 5.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3882 6.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6288 6.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8696 6.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1103 6.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3509 6.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5917 6.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2853 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5326 5.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7799 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0273 5.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2746 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5219 5.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7693 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0166 5.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2639 5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5113 5.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.1009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3712 9.8591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4876 10.1117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5985 9.8788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1390 10.6747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0226 10.4222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6117 10.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5959 9.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9291 10.0582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6450 10.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9118 10.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0910 10.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0162 10.1477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1326 10.4004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2435 10.1674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7839 10.9633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6676 10.7109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2567 10.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2409 10.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5740 10.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7736 11.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5567 10.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7360 11.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6551 9.5247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7714 9.7773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8824 9.5444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4228 10.3403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3064 10.0878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8955 10.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8798 9.3788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2129 9.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9288 10.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1956 10.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3748 10.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7554 9.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0624 8.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3551 9.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3000 9.8133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4164 10.0660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5273 9.8330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0678 10.6289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9514 10.3765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5405 10.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5247 9.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8578 10.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0574 11.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8406 10.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0198 10.9356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0840 10.1092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3601 9.5428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0260 8.6867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1120 8.7826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8357 9.3492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4022 9.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 9.3962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4873 8.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7888 9.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1700 10.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4235 9.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8301 9.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1885 9.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5948 8.8578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5684 7.4283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6847 7.6809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7957 7.4480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3361 8.2439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2198 7.9915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8088 8.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7931 7.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1262 7.6275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3258 8.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1089 8.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2881 8.5506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3094 7.2824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9103 6.5913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1383 6.7935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1776 6.5741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7699 7.2654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2572 7.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 6.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7345 6.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1776 6.0469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5421 7.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0411 9.6674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0494 8.8694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2819 8.6505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5666 7.9726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7246 8.8691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3532 8.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4705 9.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1399 8.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8350 7.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4921 9.0881 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 97104 1 0 0 0 0 115116 1 1 0 0 0 116117 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 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 110115 1 0 0 0 0 125126 1 1 0 0 0 126127 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 125134 1 0 0 0 0 85125 1 0 0 0 0 M END > LMISSP0505AI02 > > Fucalpha1-2Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C88H157N3O41 > 1912.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261037 > - > - > Active (generated by computational methods) > - $$$$