Accord 08271317192D 98102 0 0 0 0 0 0 0 0999 V2000 20.2072 7.7573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4748 8.1789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7422 7.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6306 7.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7837 7.0248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9399 8.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0165 6.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0165 5.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2841 7.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8735 8.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0665 8.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5462 6.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8080 7.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0697 6.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3314 7.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5932 6.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0036 8.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2653 7.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5270 8.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7888 7.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0504 8.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3123 7.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5739 8.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8357 7.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5932 5.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8357 7.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0267 6.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2178 7.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4088 6.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5999 7.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7910 6.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7914 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9895 5.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1876 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3858 5.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5839 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7821 5.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1784 5.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9449 10.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2751 10.1816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3337 10.4508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3865 10.2026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8969 11.0506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8383 10.7816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4005 11.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4491 10.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6733 10.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3706 10.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7856 11.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9112 11.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7008 10.4891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7594 10.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8122 10.5101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3226 11.3581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2640 11.0891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8262 11.3419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8748 10.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0990 10.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3116 11.9096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2113 11.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3369 11.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2746 10.8044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5034 10.2010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1475 9.2888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1737 9.3911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9446 9.9947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4829 9.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9148 10.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5736 8.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7210 9.7064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3008 10.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5055 10.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7491 8.9272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9780 8.3239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6220 7.4117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6483 7.5140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4192 8.1175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9574 7.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3894 8.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0481 6.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1956 7.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7754 9.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9801 8.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1223 6.5321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2122 6.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2452 6.7402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8420 7.6325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7521 7.2715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3415 7.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 6.4593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8724 8.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7193 7.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8837 7.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1327 6.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4349 6.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7083 6.3091 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 70 74 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 96 97 1 0 0 0 0 96 98 2 0 0 0 0 81 85 1 0 0 0 0 M END > LMISSP0505DN01 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C66H120N2O28 > 1388.80 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261660 > - > - > Active (generated by computational methods) > - $$$$