Accord 08271317192D 142149 0 0 0 0 0 0 0 0999 V2000 24.3205 7.5388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6460 7.9271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9713 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9305 6.8642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2239 6.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2239 5.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5494 6.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0132 8.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2699 8.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8698 6.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1898 6.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5099 6.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8299 6.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1501 6.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2910 7.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6111 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9311 7.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2512 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5711 7.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8914 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2113 7.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5314 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1501 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5314 6.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7863 6.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0413 6.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2963 6.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5512 6.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8062 6.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4116 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6731 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9346 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1960 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4575 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7190 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9805 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2420 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5035 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7650 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0265 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2879 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5494 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8109 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0724 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3339 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 5.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 5.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3831 9.7716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5160 10.0195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6437 9.7910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1928 10.5719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0598 10.3242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6566 10.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6224 9.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9868 9.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7081 10.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9322 10.5527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1269 10.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0911 10.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2241 10.3028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3518 10.0742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9008 10.8551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7679 10.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3647 10.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3304 9.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6949 10.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8907 11.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6403 10.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8350 11.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7932 9.4435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9262 9.6914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0539 9.4629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6029 10.2438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4700 9.9961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0668 10.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0325 9.3004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3970 9.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1182 9.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3424 10.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5371 10.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9104 9.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2117 8.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5177 9.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5013 9.7267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6343 9.9746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7619 9.7461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3110 10.5270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1780 10.2793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7748 10.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7406 9.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1050 9.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3008 11.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0505 10.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2451 10.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2034 9.1154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3364 9.3633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4640 9.1348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0131 9.9157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8801 9.6680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4769 9.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4427 8.9723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8071 9.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5284 9.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7525 9.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9472 10.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3206 8.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6219 8.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9279 8.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 8.5041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0384 8.7520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1661 8.5234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7152 9.3044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5822 9.0567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1790 9.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 8.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5092 8.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 9.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4546 9.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6493 9.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0538 10.1105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3715 9.7261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8205 10.2825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8996 10.5771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7452 10.8650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2435 11.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 9.5674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2779 10.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6362 10.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2962 10.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6377 9.5440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6458 8.7610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8928 8.5462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1909 7.8811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3460 8.7607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9816 8.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0590 9.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7535 8.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4543 7.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0991 8.9756 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 105112 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 106123 1 0 0 0 0 133134 1 1 0 0 0 134135 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 133142 1 0 0 0 0 80133 1 0 0 0 0 M END > LMISSP0505CJ06 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C96H173N3O41 > 2024.15 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261465 > - > - > Active (generated by computational methods) > - $$$$