Accord 08271317182D 142149 0 0 0 0 0 0 0 0999 V2000 24.3402 8.5649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6857 8.9417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0310 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7186 7.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9619 7.9104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2761 7.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2761 6.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6217 7.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0420 9.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3208 9.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9623 7.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3025 7.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6428 7.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9831 7.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3234 7.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6636 7.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0038 7.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3441 7.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6843 7.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0246 7.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3649 7.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3734 6.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0338 6.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0423 5.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3844 5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7229 5.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0650 5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4033 5.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7455 5.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0838 5.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4261 5.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7644 5.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1066 5.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4449 5.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3710 8.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7113 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0515 8.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7319 8.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0723 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 8.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7528 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0931 8.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4333 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7735 8.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1137 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4541 8.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7943 8.5649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4009 10.7331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5590 10.9738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7119 10.7519 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2740 11.5102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1160 11.2697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7244 11.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6622 10.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0740 10.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 11.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9631 11.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 11.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2043 11.0081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3623 11.2488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5153 11.0269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0774 11.7853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9193 11.5447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5278 11.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4656 10.8691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8774 11.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0675 12.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7665 11.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9845 12.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0018 10.4145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1599 10.6552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3128 10.4333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8749 11.1916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7168 10.9511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3253 11.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2631 10.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6749 10.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4042 10.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5640 11.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7820 11.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1446 10.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4371 9.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7632 10.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7994 9.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9574 10.0616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1103 9.8396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6725 10.5980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5144 10.3574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1229 10.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0607 9.6819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 10.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6626 11.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3616 10.5793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5796 10.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5969 9.2272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7550 9.4679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9079 9.2460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4700 10.0043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3119 9.7638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9204 9.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8582 9.0882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 9.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9993 9.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1591 9.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3771 10.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7397 8.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0322 8.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 8.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4002 9.5022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5583 9.7430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7112 9.5210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2733 10.2794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1153 10.0388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7238 10.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6615 9.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0734 9.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2635 10.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9625 10.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1804 10.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2007 9.3632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8204 8.7047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0849 8.8974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1695 8.6884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7339 9.3470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2453 9.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3744 8.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 8.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1695 8.1860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4696 9.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5327 9.3248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5406 8.5645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8094 8.3559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1278 7.7100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2784 8.5642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9245 8.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9418 8.9742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6741 7.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3836 7.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0096 8.7728 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 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 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 106112 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 118123 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 105133 1 0 0 0 0 M END > LMISSP0504AW06 > > Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C96H173N3O41 > 2024.15 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260793 > - > - > Active (generated by computational methods) > - $$$$