Accord 08271317192D 112117 0 0 0 0 0 0 0 0999 V2000 21.6119 7.8000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8670 8.2288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1220 7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0426 7.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1812 7.0550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3571 8.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4010 6.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4010 5.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6561 7.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2725 8.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4518 8.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9057 6.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1548 7.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4040 6.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6531 7.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9024 6.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3708 8.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6200 7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8691 8.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1183 7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3673 8.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6167 7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8657 8.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1149 7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9024 5.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1149 7.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2922 6.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4695 7.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6468 6.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8240 7.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0014 6.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0869 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2714 5.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4559 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6404 5.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8248 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0093 5.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1938 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 5.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3622 10.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6810 10.2656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7236 10.5394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7603 10.2870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2623 11.1493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2197 10.8758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7745 11.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8409 10.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0349 10.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7271 10.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1831 11.1281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2938 11.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0458 10.5783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0884 10.8521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1251 10.5997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6272 11.4621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5846 11.1885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1394 11.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2058 10.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3997 10.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6160 12.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5480 11.4408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6587 11.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5613 10.8989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7770 10.2853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4150 9.3576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4247 9.4616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2087 10.0755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7391 9.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1954 10.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8313 8.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9642 9.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5709 11.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7621 10.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8356 7.9942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8782 8.2680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9149 8.0156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4170 8.8779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3744 8.6044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9292 8.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9956 7.8361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1896 8.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8817 8.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3378 8.8567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4485 9.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8608 7.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1935 7.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4271 7.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2005 8.3069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2431 8.5807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2798 8.3283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7818 9.1907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7393 8.9171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2940 9.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 8.1489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7706 9.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7026 9.1694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8134 9.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9347 11.7610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2500 12.4840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2924 12.7571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3027 13.7529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9876 13.0300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7352 13.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1312 12.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7670 13.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5092 14.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9452 12.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3597 13.5137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9082 11.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0732 11.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5349 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 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 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 60 99 1 0 0 0 0 M END > LMISSP0505DQ01 > > Galbeta1-4GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C74H133N3O33 > 1591.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261684 > - > - > Active (generated by computational methods) > - $$$$