Accord 08271317192D 142149 0 0 0 0 0 0 0 0999 V2000 24.3205 8.6722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6466 9.0602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9723 8.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7102 7.9981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9309 7.9981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 9.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2248 7.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2248 6.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5508 7.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0135 9.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2708 9.7107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8719 7.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1924 7.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5130 7.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8337 7.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1543 7.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4748 7.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7955 7.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1161 7.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4366 7.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7573 7.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0779 7.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0866 6.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7668 6.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7755 5.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0980 5.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4168 5.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7393 5.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0579 5.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3806 5.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6991 5.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0218 5.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3404 5.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6630 5.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9817 5.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2927 9.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6133 8.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9339 9.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2545 8.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5750 9.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8958 8.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2163 9.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5369 8.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8576 9.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1782 8.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4987 9.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8193 8.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1400 9.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4606 8.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3831 10.9049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5161 11.1528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6438 10.9243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1928 11.7052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0598 11.4575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6567 11.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6224 10.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9869 11.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7081 11.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9323 11.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1270 12.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0912 11.1881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2242 11.4361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3519 11.2075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9010 11.9884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7680 11.7407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3648 11.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3305 11.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6950 11.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8908 12.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6404 11.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8351 12.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7934 10.5768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9264 10.8247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0541 10.5962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6031 11.3771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4702 11.1294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0670 11.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0327 10.4337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3972 10.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1184 11.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3426 11.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5373 11.6780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9106 10.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2119 10.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5179 10.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4955 9.9655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6285 10.2134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7562 9.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3053 10.7658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1723 10.5181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7691 10.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7348 9.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0994 10.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2952 11.2738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0447 10.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2394 11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1977 9.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3307 9.6021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4584 9.3736 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0075 10.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8745 9.9068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4713 10.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4370 9.2111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8015 9.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5228 9.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7469 10.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9416 10.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3150 9.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6162 8.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9222 9.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8999 8.7429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0329 8.9908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1606 8.7622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7096 9.5432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5766 9.2955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1735 9.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1392 8.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5037 8.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6995 10.0511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4491 9.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6437 9.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0482 10.3492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3659 9.9649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8150 10.5213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8940 10.8158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7396 11.1038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2379 11.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9348 9.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2724 10.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 10.3706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2906 10.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6439 11.5719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9616 11.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4106 11.7439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4897 12.0384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3353 12.3264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8336 12.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5305 11.0288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8680 11.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2263 11.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8863 11.7700 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 16 17 1 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 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 31 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 3 36 2 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 80 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 81133 1 0 0 0 0 M END > LMISSP0504BT08 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C96H171N3O41 > 2022.14 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260963 > - > - > Active (generated by computational methods) > - $$$$