Accord 08271317182D 136142 0 0 0 0 0 0 0 0999 V2000 24.4094 8.1907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8235 8.5280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2374 8.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7481 7.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0707 7.6048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 8.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4569 7.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4569 6.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8710 7.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1425 9.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4969 9.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2808 7.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6901 7.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0996 7.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5090 7.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9184 7.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3278 7.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7372 7.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1467 7.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5560 7.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9655 7.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3749 7.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3825 6.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9737 6.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9813 5.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3924 5.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8002 5.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2113 5.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6190 5.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0301 5.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4378 5.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8490 5.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2566 5.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6678 5.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0755 5.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6466 8.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0560 8.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4654 8.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8748 8.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2842 8.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6937 8.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1031 8.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5125 8.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9219 8.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3314 8.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7407 8.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1501 8.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5596 8.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9690 8.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4637 10.1316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7101 10.3471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9518 10.1484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5598 10.8273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3135 10.6119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9630 10.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8025 10.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3808 10.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1384 10.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0718 10.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3718 11.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6022 10.3778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8485 10.5933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0902 10.3946 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6982 11.0735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4519 10.8581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1014 11.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9409 10.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5192 10.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6894 11.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2103 11.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5102 11.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7354 9.8464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9817 10.0619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2235 9.8632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8315 10.5421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5851 10.3267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2347 10.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0741 9.7220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6524 10.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4101 10.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3435 10.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6435 10.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9680 9.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2299 9.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6266 9.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8687 9.3150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1150 9.5305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3567 9.3318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9647 10.0107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7184 9.7953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3679 9.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2074 9.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7857 9.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9559 10.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4768 9.9939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7767 10.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0019 8.7836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2482 8.9991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4899 8.8004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0980 9.4793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8516 9.2639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5012 9.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3406 8.6592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9189 8.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6766 9.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6100 9.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9100 9.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2345 8.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4964 8.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8931 8.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1352 8.2522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3815 8.4677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6232 8.2690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2312 8.9478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9849 8.7325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6344 8.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4739 8.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0522 8.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2224 9.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7433 8.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0432 9.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3921 8.5046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7748 8.0215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4898 7.2913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7102 7.3731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3274 7.8563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9577 7.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1041 7.8964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0303 6.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 7.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6126 8.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9759 8.1838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1756 7.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4813 7.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9749 7.4372 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 125124 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 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 119123 1 0 0 0 0 M END > LMISSP0504AO08 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C92H164N4O38 > 1933.10 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260731 > - > - > Active (generated by computational methods) > - $$$$