Accord 08271317192D 121127 0 0 0 0 0 0 0 0999 V2000 22.4695 7.8153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7201 8.2466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9706 7.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9027 7.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0362 7.0658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2191 8.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2513 6.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2513 5.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5019 7.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1281 8.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3024 8.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7470 6.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9917 7.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2363 6.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4810 7.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7258 6.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2149 8.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4596 7.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7043 8.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9489 7.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1935 8.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4383 7.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6829 8.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9275 7.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7258 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9275 7.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0999 6.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2723 7.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4446 6.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6170 7.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7894 6.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9054 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0850 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2646 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4442 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6238 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8034 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9830 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1626 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2243 10.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5390 10.2957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5758 10.5711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6067 10.3172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1058 11.1847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0690 10.9095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6211 11.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6939 10.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8770 10.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5674 10.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0381 11.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1435 11.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8820 10.6103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9189 10.8857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9498 10.6318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4489 11.4993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4120 11.2241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9641 11.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0370 10.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2201 10.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4376 12.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3812 11.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4866 11.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2184 9.9312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2553 10.2066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2862 9.9527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7853 10.8202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7485 10.5450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3006 10.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3734 9.7722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5565 10.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2468 10.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7176 10.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8230 11.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2378 9.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5724 9.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8015 9.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5615 10.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5983 10.5212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6293 10.2673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1284 11.1348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0915 10.8596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6436 11.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7164 10.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8996 10.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1171 11.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0607 11.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1661 11.4691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0561 10.5683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2671 9.9510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9029 9.0178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9067 9.1224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6954 9.7399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2230 9.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 9.7912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3158 8.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0598 10.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2462 10.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7793 9.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1699 9.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5229 9.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1893 10.0868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1983 9.2169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3618 8.9783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5821 8.2395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7544 9.2166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3495 8.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6573 9.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2070 8.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8747 7.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5909 9.4553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7130 10.0428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7221 9.1730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8856 8.9344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1059 8.1955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2781 9.1727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8733 8.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1810 9.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7308 8.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 7.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1147 9.4114 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 103104 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 102111 1 0 0 0 0 83102 1 0 0 0 0 112113 1 1 0 0 0 113114 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 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 112121 1 0 0 0 0 70112 1 0 0 0 0 M END > LMISSP0505BM01 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O36 > 1721.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261276 > - > - > Active (generated by computational methods) > - $$$$