Accord 08271317192D 134141 0 0 0 0 0 0 0 0999 V2000 24.3204 7.5377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6457 7.9260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9709 7.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.8629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9303 6.8629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2236 6.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2236 5.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5489 6.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0130 8.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2696 8.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8692 6.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1892 6.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5091 6.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8290 6.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1490 6.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2905 7.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6105 7.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9304 7.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2503 7.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5701 7.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8903 7.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2101 7.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5300 7.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1490 5.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5300 6.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7848 6.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0397 6.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2945 6.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5493 6.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8042 6.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4104 5.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6717 5.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9331 5.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1944 5.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4558 5.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7172 5.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9785 5.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2399 5.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5012 5.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7626 5.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3830 9.7709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5158 10.0188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6433 9.7902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1923 10.5713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0595 10.3236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6562 10.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6221 9.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9863 9.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7075 10.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9320 10.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1266 10.8722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0904 10.0541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2232 10.3021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3508 10.0735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8997 10.8546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7669 10.6068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3637 10.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3296 9.9110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6937 10.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8896 11.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6395 10.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8340 11.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7919 9.4427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9247 9.6907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0522 9.4621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6012 10.2431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4684 9.9954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0652 10.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0311 9.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3952 9.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1164 9.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3410 10.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5355 10.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9090 9.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2103 8.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5162 9.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4994 9.7260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6322 9.9739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7597 9.7453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3087 10.5264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1759 10.2787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7726 10.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7385 9.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1027 9.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2985 11.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0485 10.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2430 10.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2009 9.1145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3337 9.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4612 9.1339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0102 9.9150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8774 9.6672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4741 9.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4400 8.9714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5254 9.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7500 9.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9445 10.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3179 8.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 8.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9251 8.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9024 8.5031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0352 8.7510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1627 8.5225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7117 9.3035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5789 9.0558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1756 9.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1415 8.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5057 8.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 9.8116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4515 9.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6460 9.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0507 10.1098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3683 9.7253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8172 10.2819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8961 10.5764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7419 10.8645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2401 11.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9373 9.5666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2745 10.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6327 10.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2930 10.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6358 9.5432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6440 8.7601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8908 8.5452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1888 7.8800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3439 8.7598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9794 8.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0572 9.1821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7514 8.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4522 7.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0971 8.9747 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 97104 1 0 0 0 0 115116 1 1 0 0 0 116117 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 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 98115 1 0 0 0 0 125126 1 1 0 0 0 126127 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 125134 1 0 0 0 0 72125 1 0 0 0 0 M END > LMISSP0505CJ02 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C88H157N3O41 > 1912.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261461 > - > - > Active (generated by computational methods) > - $$$$