Accord 08271317182D 129135 0 0 0 0 0 0 0 0999 V2000 22.4924 9.0730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7430 9.5045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9933 9.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9258 8.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0592 8.3235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2423 9.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2740 7.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2740 7.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5246 8.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1510 10.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3252 10.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7696 7.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0140 8.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2586 7.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5031 8.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7477 7.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9922 8.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2367 7.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4813 8.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7257 7.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9703 8.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2149 7.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2246 7.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9809 6.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9906 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2372 5.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4797 5.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7264 5.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9687 5.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4577 5.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7046 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9469 5.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2375 9.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4821 9.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7265 9.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9711 9.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2156 9.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4602 9.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7047 9.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9492 9.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 9.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4384 9.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6828 9.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9273 9.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1720 9.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4164 9.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2480 11.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5620 11.5558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5979 11.8315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6279 11.5773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1265 12.4457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0906 12.1702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6423 12.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7161 11.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8975 11.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5875 12.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0607 12.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1652 12.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9015 11.8707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9374 12.1464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9674 11.8922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4660 12.7606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4301 12.4852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9818 12.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0556 11.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2370 12.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4547 13.3254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4002 12.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5047 13.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2344 11.1910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2703 11.4666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3003 11.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7989 12.0808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7630 11.8054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3147 12.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3885 11.0318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5699 11.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2599 11.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7331 12.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8376 12.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2528 10.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5878 10.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8161 10.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5673 10.5112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6032 10.7868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6332 10.5327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1318 11.4011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0959 11.1256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6476 11.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7214 10.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9028 10.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1205 11.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0660 11.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1705 11.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0585 10.8340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2688 10.2161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9042 9.2820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9070 9.3867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6965 10.0048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2236 9.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6901 10.0561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3165 8.8061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0613 10.9389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2468 10.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7815 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1725 9.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5248 9.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1937 10.3520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2028 9.4813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3655 9.2425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5850 8.5029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7575 9.4810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3522 9.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6622 9.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 8.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8779 8.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5948 9.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7323 12.2974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9735 11.8700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3609 12.4887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3369 12.8162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2771 13.1364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7192 13.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6061 11.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7575 12.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0440 12.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8898 12.5178 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 2 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 3 34 2 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 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 78 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 111112 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 110119 1 0 0 0 0 91110 1 0 0 0 0 120121 1 1 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 124129 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 120129 1 0 0 0 0 79120 1 0 0 0 0 M END > LMISSP0504AH07 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C88H157N3O36 > 1832.05 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260674 > - > - > Active (generated by computational methods) > - $$$$