Accord 08271317192D 112117 0 0 0 0 0 0 0 0999 V2000 18.3796 7.8108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6315 8.2414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8833 7.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8120 7.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9471 7.0627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1279 8.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1635 6.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1635 5.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4154 7.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0387 8.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2145 8.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6618 6.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9078 7.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1537 6.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3997 7.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6458 6.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1289 8.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3749 7.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6208 8.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8668 7.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1127 8.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3588 7.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6047 8.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8507 7.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6458 5.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8507 7.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0244 6.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1983 7.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3720 6.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 7.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7197 6.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8268 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0078 5.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1888 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3698 5.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5509 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7319 5.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9129 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0939 5.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1331 10.5501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4489 10.2869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4874 10.5619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5200 10.3084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0200 11.1744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9815 10.8997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5343 11.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6053 10.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7916 10.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4824 10.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9490 11.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0559 11.5081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7983 10.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8368 10.8759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8694 10.6225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3694 11.4885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3309 11.2138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8837 11.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9547 10.4423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1410 10.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3581 12.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2983 11.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4053 11.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2989 10.9230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5113 10.3067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1478 9.3751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1532 9.4795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9406 10.0960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4690 9.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9315 10.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5616 8.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6909 9.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3044 11.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4921 10.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7211 12.4537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0335 13.1797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0718 13.4540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0822 14.4540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7699 13.7281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5165 14.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9142 12.7465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5442 13.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4615 14.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7316 13.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1437 14.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6903 12.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8559 12.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3154 12.8554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7774 14.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0898 14.9235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1281 15.1978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1385 16.1978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8262 15.4718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5728 15.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9705 14.4902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 15.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4155 16.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7879 15.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 15.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7314 16.4252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0437 17.1513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0820 17.4256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0925 18.4256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7802 17.6996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5267 18.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9245 16.7180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 17.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2998 18.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7419 17.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1539 18.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7005 16.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8662 16.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3256 16.8270 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 59 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 62 74 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 82 88 1 0 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 99108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 110111 1 0 0 0 0 110112 2 0 0 0 0 96 99 1 0 0 0 0 M END > LMISSP0506AM01 > > Galalpha1-3(GalNAcbeta1-4Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C74H133N3O33 > 1591.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261908 > - > - > Active (generated by computational methods) > - $$$$