Accord 08271317192D 112117 0 0 0 0 0 0 0 0999 V2000 17.9514 7.7948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2081 8.2227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4645 7.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3812 7.0513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5216 7.0513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6951 8.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7429 6.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7429 5.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9996 7.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6127 8.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7937 8.9401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2507 6.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5014 7.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7521 6.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0027 7.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2535 6.6119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7149 8.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9656 7.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2162 8.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4669 7.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7175 8.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9684 7.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2190 8.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4697 7.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2535 5.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4697 7.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6486 6.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8277 7.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0066 6.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1855 7.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3646 6.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4397 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6258 5.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8120 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9982 5.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1843 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3705 5.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5566 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7428 5.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7002 10.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0203 10.2554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0649 10.5286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1035 10.2767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6066 11.1373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5621 10.8643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1178 11.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1820 10.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3796 10.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0725 10.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5235 11.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6360 11.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3926 10.5675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4371 10.8407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4758 10.5888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9789 11.4494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9343 11.1764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4900 11.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5543 10.4097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7519 10.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9677 12.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8958 11.4282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0083 11.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9152 10.8874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1325 10.2750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7712 9.3493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7829 9.4530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5654 10.0656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0967 9.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 10.1165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1887 8.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3234 9.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9268 10.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1197 10.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1951 7.9886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2396 8.2618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2783 8.0099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7814 8.8705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7368 8.5975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2925 8.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3568 7.8309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7702 9.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6983 8.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8108 9.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2223 7.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 7.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7894 7.6212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3284 12.4085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6451 13.1300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6894 13.4026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6998 14.3963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3832 13.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1314 14.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5266 12.6995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1651 13.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0830 14.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3389 13.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7546 14.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3040 12.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4687 12.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9315 12.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4031 14.1413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7198 14.8628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7642 15.1354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7745 16.1291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4579 15.4078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2061 15.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6013 14.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2398 15.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0498 16.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4136 15.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8293 15.8905 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 70 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 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 62 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 M END > LMISSP0506AK01 > > GalNAcbeta1-3Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C74H133N3O33 > 1591.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261892 > - > - > Active (generated by computational methods) > - $$$$