Accord 08271317192D 121126 0 0 0 0 0 0 0 0999 V2000 24.2901 7.6510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5854 8.0567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8804 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6976 6.9462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8827 6.9462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1444 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1444 5.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4397 6.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9690 8.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1925 8.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7297 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0193 6.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3089 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5985 6.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8882 6.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1698 8.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4594 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7490 8.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0386 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3281 8.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6179 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9074 8.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1971 7.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8882 5.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1971 6.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4186 6.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6403 6.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8619 6.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0835 6.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3052 6.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1167 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3451 5.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5735 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8020 5.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0304 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2588 5.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4873 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7157 5.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1726 5.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4010 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6294 5.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8578 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0863 5.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3147 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 5.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7716 5.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3555 9.9838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4496 10.2428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5382 10.0040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0671 10.8199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9730 10.5611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5517 10.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5607 9.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8519 10.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5607 10.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8844 10.7998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0431 11.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9162 10.2797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0103 10.5387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0990 10.2999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6278 11.1158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5337 10.8570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1124 11.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1214 10.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4127 10.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6172 11.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4452 11.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6038 11.4301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4706 9.6410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5648 9.9000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6534 9.6612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1823 10.4771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0881 10.2183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6669 10.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6759 9.4914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9671 9.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6759 10.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9996 10.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1582 10.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5483 9.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8631 9.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1380 9.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0314 9.9369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1255 10.1959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2141 9.9571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7430 10.7730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6489 10.5142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2276 10.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2366 9.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5278 10.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7324 11.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5603 10.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7190 11.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7346 10.2402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9925 9.6596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6500 8.7819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7131 8.8803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4549 9.4611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0106 9.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3884 9.5093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0978 8.3348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3818 9.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7976 10.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0324 9.8547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4743 9.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8417 9.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2331 8.9574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7408 9.7873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7493 8.9693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9626 8.7449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2293 8.0499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3913 8.9690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0105 8.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1809 9.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8170 8.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5044 7.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1780 9.1935 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 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 112121 1 0 0 0 0 93112 1 0 0 0 0 M END > LMISSP0505CU06 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C84H153N3O32 > 1716.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261545 > - > - > Active (generated by computational methods) > - $$$$