Accord 08271317182D 120125 0 0 0 0 0 0 0 0999 V2000 24.3035 8.7559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6127 9.1536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9215 8.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7030 8.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9041 8.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9947 9.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1803 7.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1803 6.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4895 8.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9888 9.8052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2275 9.8204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7935 7.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0970 8.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4006 7.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7042 8.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0078 7.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3113 8.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6149 7.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9186 8.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2221 7.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5257 8.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8293 7.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8382 6.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5354 6.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5444 5.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8499 5.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1516 5.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4571 5.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7587 5.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0644 5.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3658 5.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6716 5.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9730 5.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2249 9.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5285 8.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8320 9.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1356 8.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4391 9.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7428 8.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0463 9.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3499 8.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6535 9.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9572 8.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2607 9.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5642 8.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8679 9.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1714 8.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3676 11.0446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4789 11.2987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5847 11.0645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1225 11.8649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0112 11.6110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5980 11.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5879 10.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9114 11.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6257 11.5781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9055 11.8452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0800 12.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9933 11.3349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1046 11.5890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2104 11.3548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7482 12.1552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6369 11.9013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2236 12.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2135 11.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5370 11.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7377 12.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5312 12.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7057 12.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1054 12.4327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2166 12.6868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3225 12.4526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8603 13.2530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7490 12.9991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3357 13.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3256 12.2860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6491 12.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8498 13.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6433 13.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8178 13.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2005 12.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5093 11.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7979 12.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7249 11.8061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8362 12.0602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9420 11.8259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4798 12.6264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3685 12.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9552 12.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9451 11.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2687 12.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4694 13.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 12.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4373 12.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3444 11.1794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4557 11.4336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5615 11.1993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0993 11.9998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9880 11.7459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5747 11.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5647 11.0327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8882 11.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6025 11.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8823 11.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0568 12.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4395 10.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7483 10.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0370 10.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9701 11.4698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0813 11.7239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1872 11.4896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7250 12.2901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6137 12.0362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2004 12.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1903 11.3230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 11.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 12.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 12.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6825 12.5985 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 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 68 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 112111 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 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 M END > LMISSP0503AF05 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C82H149N3O33 > 1704.01 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260528 > - > - > Active (generated by computational methods) > - $$$$