Accord 08271317192D 112117 0 0 0 0 0 0 0 0999 V2000 22.4790 7.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7341 8.2288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9890 7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9096 7.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0483 7.0550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2242 8.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2680 6.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2680 5.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5232 7.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1396 8.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3189 8.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7727 6.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0219 7.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2710 6.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5202 7.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7695 6.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2379 8.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4870 7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7362 8.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9853 7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2344 8.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4838 7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7328 8.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9820 7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7695 5.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9820 7.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1592 6.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3366 7.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5138 6.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6911 7.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8685 6.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9540 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1384 5.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3229 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5074 5.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6919 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8764 5.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0609 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2454 5.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2293 10.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5480 10.2656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5906 10.5394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6273 10.2870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1294 11.1493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0868 10.8758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6416 11.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7080 10.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9020 10.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5941 10.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0502 11.1281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1609 11.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9129 10.5783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9555 10.8521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9922 10.5997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4942 11.4621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4517 11.1885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0064 11.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0729 10.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2668 10.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4830 12.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4151 11.4408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5258 11.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2711 9.9033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3137 10.1770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3504 9.9247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8525 10.7870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8099 10.5135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3647 10.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4311 9.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6250 10.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3172 10.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7733 10.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8840 11.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 9.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6290 9.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8626 9.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6360 10.2160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6786 10.4898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7153 10.2374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2173 11.0998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1747 10.8262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7295 11.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7959 10.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9899 10.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2061 11.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1381 11.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2488 11.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1514 10.5366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3672 9.9230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0051 8.9953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0148 9.0993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7989 9.7132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3292 9.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7855 9.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4215 8.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1611 10.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3523 10.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8018 11.7610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1171 12.4840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1594 12.7571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1698 13.7529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8546 13.0300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6022 13.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9983 12.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6340 13.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3763 14.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8123 12.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2268 13.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7753 11.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9403 11.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4020 12.1610 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 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 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 84 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 60 99 1 0 0 0 0 M END > LMISSP0505CB01 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C74H133N3O33 > 1591.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261396 > - > - > Active (generated by computational methods) > - $$$$