Accord 08271317182D 116121 0 0 0 0 0 0 0 0999 V2000 24.2673 7.2391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5400 7.6579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8125 7.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6877 6.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8469 6.5118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 7.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0850 6.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0850 5.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3577 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9359 8.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1347 8.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6250 6.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8919 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1589 6.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4258 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6927 6.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9595 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2265 6.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4934 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7603 6.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0272 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2942 6.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5610 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8279 6.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0948 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3618 6.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6287 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8955 6.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1625 6.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0791 7.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3461 7.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6130 7.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8798 7.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1467 7.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4137 7.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6806 7.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9475 7.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2144 7.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4813 7.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7482 7.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0151 7.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2821 7.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5490 7.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3346 9.6470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3996 9.9144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4588 9.6679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9724 10.5101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9075 10.2429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4727 10.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5142 9.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7503 9.8578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4497 10.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8484 10.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9799 10.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7843 9.9524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8492 10.2198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9084 9.9733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4221 10.8156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3572 10.5484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9224 10.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9639 9.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2000 10.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4112 11.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2981 10.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4296 11.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7458 11.1075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8107 11.3749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8699 11.1284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3836 11.9706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3187 11.7034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8838 11.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9254 10.9531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1615 11.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3726 12.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2596 11.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3910 12.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7937 10.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1186 10.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3702 10.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1890 10.4482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2539 10.7156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3131 10.4691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8268 11.3113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7619 11.0441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3271 11.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3686 10.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6047 10.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8159 11.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7028 11.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8343 11.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7858 10.7613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0198 10.1620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6663 9.2560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6990 9.3575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4648 9.9570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0061 9.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4284 10.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0962 8.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2494 9.6707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8186 10.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0286 10.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1238 7.9243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1887 8.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2479 7.9452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7616 8.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6966 8.5203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2618 8.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3033 7.7700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5394 8.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7506 9.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 8.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 9.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1717 7.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4966 7.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7481 7.5647 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 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 64 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 88 92 1 0 0 0 0 103104 1 1 0 0 0 105104 1 1 0 0 0 106105 1 1 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 107112 1 0 0 0 0 103112 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 114115 1 0 0 0 0 114116 2 0 0 0 0 99103 1 0 0 0 0 M END > LMSP0503AM03 > > GalNAcbeta1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O33 > 1647.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260582 > - > - > Active (generated by computational methods) > - $$$$