Accord 08271317192D 122127 0 0 0 0 0 0 0 0999 V2000 24.2901 7.6517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5854 8.0574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8804 7.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6976 6.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8827 6.9469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1444 6.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1444 5.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4397 6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9690 8.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1925 8.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7297 6.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0193 6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3089 6.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5985 6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8882 6.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1698 8.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4594 7.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7490 8.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0386 7.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3281 8.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6179 7.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9074 8.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1971 7.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8882 5.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1971 6.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4186 6.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6403 6.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8619 6.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0835 6.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3052 6.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1167 5.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3451 5.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5735 5.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8020 5.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0304 5.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2588 5.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4873 5.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7157 5.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 5.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1726 5.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4010 5.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6294 5.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8578 5.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0863 5.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3147 5.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 5.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7716 5.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3555 9.9845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4496 10.2435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5382 10.0047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0671 10.8206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9730 10.5618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5517 10.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5607 9.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8519 10.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5607 10.5283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8844 10.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0431 11.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9162 10.2804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0103 10.5394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0990 10.3006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6278 11.1165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5337 10.8577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1124 11.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1214 10.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4127 10.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6172 11.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4452 11.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6038 11.4308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4706 9.6417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5648 9.9007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6534 9.6619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1823 10.4778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0881 10.2190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6669 10.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6759 9.4921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9671 9.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6759 10.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9996 10.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1582 10.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5483 9.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8631 9.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1380 9.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0314 9.9376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1255 10.1966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2141 9.9578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7430 10.7737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6489 10.5149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2276 10.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2366 9.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5278 10.1418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7324 11.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5603 10.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7190 11.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7346 10.2409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9925 9.6603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6500 8.7827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7131 8.8810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4549 9.4618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0106 9.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3884 9.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0978 8.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2775 9.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7976 10.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0324 9.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9727 11.3993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3249 12.0833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4188 12.3417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4287 13.2839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0766 12.5999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8378 13.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2125 11.6752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9217 12.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6240 13.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9826 12.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4287 13.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0015 11.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1576 11.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6483 11.7778 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 94 98 1 0 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 109118 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 120121 1 0 0 0 0 120122 2 0 0 0 0 70109 1 0 0 0 0 M END > LMSP0505CB06 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C84H153N3O33 > 1732.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261401 > - > - > Active (generated by computational methods) > - $$$$