Accord 08271317182D 111115 0 0 0 0 0 0 0 0999 V2000 22.0080 9.0700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2607 9.5002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5131 9.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4401 8.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5760 8.3226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7557 9.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7931 7.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7931 7.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0458 8.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6676 10.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8441 10.2215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2929 7.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5395 8.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7862 7.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0329 8.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2796 7.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5262 8.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7729 7.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0196 8.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2662 7.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5129 8.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7596 7.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7693 7.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5235 6.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5331 5.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7820 5.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0266 5.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2754 5.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5199 5.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7688 5.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0132 5.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 5.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5066 5.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7555 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7595 9.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0062 9.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2528 9.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4995 9.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7461 9.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9929 9.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2395 9.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4863 9.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7330 9.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9797 9.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2263 9.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4729 9.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7197 9.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9663 9.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7614 11.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0774 11.5457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1160 11.8206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1488 11.5671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6488 12.4330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6101 12.1584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1631 12.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2339 11.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4204 11.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1114 12.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5775 12.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6846 12.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4273 11.8597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4660 12.1346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4987 11.8812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9987 12.7471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9601 12.4724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5130 12.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5838 11.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7704 12.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9875 13.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9274 12.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0345 13.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3034 13.0472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3421 13.3221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3748 13.0687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8748 13.9346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8362 13.6599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3891 13.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4599 12.8885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6465 13.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8636 14.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8035 13.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9106 14.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3246 12.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6586 12.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8891 12.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7706 11.1819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8033 10.9291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0996 10.2186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2285 10.7095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1958 10.9623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6796 10.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1254 10.6159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3734 10.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9238 10.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8995 11.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9502 11.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1163 10.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5256 10.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7415 10.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2398 9.9056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5522 10.6316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5907 10.9058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6011 11.9057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2887 11.1799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0353 11.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4330 10.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0631 11.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8781 12.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2503 10.9055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6624 11.6655 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 70 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 93 98 1 0 0 0 0 98 99 1 0 0 0 0 98100 2 0 0 0 0 69 87 1 0 0 0 0 101102 1 1 0 0 0 103102 1 1 0 0 0 104103 1 1 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105110 1 0 0 0 0 101110 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 106111 1 0 0 0 0 95101 1 0 0 0 0 M END > LMISSP0503AO06 > > GalNAcbeta1-4(Galbeta1-4GlcNAcbeta1-3)Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C78H143N3O28 > 1569.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260601 > - > - > Active (generated by computational methods) > - $$$$