Accord 08271317192D 139146 0 0 0 0 0 0 0 0999 V2000 24.3200 7.5362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6449 7.9248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9696 7.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7103 6.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9296 6.8610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2224 6.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2224 5.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5473 6.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0124 8.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2685 8.5764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8672 6.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1867 6.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5062 6.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8257 6.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1453 6.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2888 7.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6083 7.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9278 7.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2472 7.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5666 7.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8863 7.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2057 7.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5252 7.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1453 5.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5252 6.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7795 6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0339 6.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2883 6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5426 6.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7970 6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4061 5.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6670 5.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9279 5.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1888 5.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4497 5.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7105 5.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9714 5.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2323 5.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4932 5.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7541 5.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3826 9.7709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5148 10.0190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6418 9.7902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1905 10.5718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0582 10.3239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6547 10.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6212 9.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9843 9.9665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7054 10.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9314 10.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1254 10.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0879 10.0543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2202 10.3024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3471 10.0737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8958 10.8553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7636 10.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3600 10.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3266 9.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6897 10.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8857 11.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6367 10.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8307 11.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7873 9.4425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9195 9.6906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0465 9.4619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5952 10.2434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4629 9.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0594 10.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0259 9.2992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3891 9.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1101 9.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3361 10.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5301 10.5446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9038 9.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2053 8.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5107 9.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4926 9.7259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6249 9.9741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7518 9.7453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3005 10.5269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1683 10.2790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7648 10.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7313 9.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0944 9.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2904 11.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0414 10.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2354 10.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1920 9.1141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3243 9.3622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4512 9.1335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9999 9.9151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8676 9.6671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4641 9.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4306 8.9709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7938 9.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5148 9.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7408 9.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9348 10.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3085 8.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6100 8.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9154 8.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8973 9.3976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0296 9.6457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1565 9.4169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7052 10.1985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5730 9.9506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1695 10.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 9.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4991 9.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6951 10.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4461 10.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 10.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6180 11.3980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9974 12.0532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1295 12.3008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1389 13.2033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7596 12.5481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5308 12.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8898 11.6622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6533 12.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5787 13.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6275 12.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0969 12.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6877 11.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8372 11.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3493 11.7605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9613 12.9717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3407 13.6269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4728 13.8745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4822 14.7770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1029 14.1218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8741 14.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 13.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9966 14.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7322 15.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9708 13.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4402 14.5602 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 89115 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 123129 1 0 0 0 0 M END > LMISSP0505AP02 > > Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C90H160N4O43 > 1985.05 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261093 > - > - > Active (generated by computational methods) > - $$$$