Accord 08271317192D 118123 0 0 0 0 0 0 0 0999 V2000 24.3205 7.0783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6461 7.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9715 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7103 6.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9306 6.4040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 7.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2241 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2241 5.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5498 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0133 8.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2702 8.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8704 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1905 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5108 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8310 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1513 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4715 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7918 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1120 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4322 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7524 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0726 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3929 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7131 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0334 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3535 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6738 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9940 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3143 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6345 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9548 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2915 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6117 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9319 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2521 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5723 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8926 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2128 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5331 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8533 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1735 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4937 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8139 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1342 7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4544 7.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3829 9.3115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5157 9.5595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6432 9.3309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1922 10.1120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0594 9.8642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6561 10.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6221 9.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9862 9.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7074 9.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9320 10.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1265 10.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0903 9.5948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2231 9.8428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3506 9.6142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8995 10.3953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7667 10.1475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3635 10.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3294 9.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6935 9.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8894 10.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6394 10.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8339 10.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7917 8.9834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9245 9.2313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0519 9.0027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6009 9.7838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4681 9.5361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0648 9.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0308 8.8402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3949 9.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1161 9.5040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3407 9.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5352 10.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9087 8.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2100 8.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5159 8.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4930 8.3719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6258 8.6199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7533 8.3913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3023 9.1724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1695 8.9246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7662 9.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7322 8.2287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0963 8.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2921 9.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0421 9.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2366 9.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1944 7.7604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3272 8.0084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4547 7.7798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0037 8.5609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8709 8.3131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4676 8.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4335 7.6173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7977 7.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5188 8.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7435 8.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9380 8.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3115 7.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6128 7.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9186 7.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 8.0437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0346 8.2917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1620 8.0631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7110 8.8442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5782 8.5964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1750 8.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1409 7.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 8.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7009 9.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4508 8.8249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6453 9.1451 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 1 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 3 32 2 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 M END > LMISSP0504BR04 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C80H145N3O33 > 1675.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260951 > - > - > Active (generated by computational methods) > - $$$$