Accord 08271317182D 109113 0 0 0 0 0 0 0 0999 V2000 23.5324 7.3007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7852 7.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0377 7.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9644 6.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1005 6.5535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2800 7.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3176 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3176 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5704 6.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1920 8.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3687 8.4521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8176 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0643 6.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3112 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5579 6.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8048 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0515 6.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2982 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5451 6.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7918 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0387 6.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2854 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5322 6.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7790 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0258 6.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2725 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5194 6.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7661 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0128 6.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2597 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5064 6.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7533 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2842 7.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5310 7.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7777 7.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0245 7.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2713 7.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5181 7.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7648 7.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0117 7.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2584 7.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5053 7.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7520 7.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9987 7.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2456 7.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4923 7.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2858 10.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6018 9.7763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6405 10.0512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6733 9.7978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1733 10.6637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1346 10.3890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6876 10.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7583 9.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9449 9.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6359 10.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1019 10.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2090 10.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9519 10.0904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9905 10.3652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0233 10.1118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5234 10.9777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4847 10.7030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0376 10.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1084 9.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2950 10.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5121 11.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4520 10.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5591 11.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9859 12.2775 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.0246 12.5524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0574 12.2990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5575 13.1649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5188 12.8902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0717 13.1484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1425 12.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3291 12.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5462 13.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4861 13.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5932 13.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3294 11.5997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3681 11.8746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4009 11.6212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9009 12.4871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8622 12.2124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4152 12.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4859 11.4410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6725 11.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8896 12.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8295 12.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9366 12.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3506 11.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6846 10.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9151 11.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8307 11.9216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0432 11.3055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6797 10.3741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6854 10.4785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4726 11.0948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0011 10.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4633 11.1460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0937 9.8996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3338 10.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8363 12.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0242 11.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5544 10.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9443 11.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2985 10.5602 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 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 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 89 96 1 0 0 0 0 M END > LMSP0502AC05 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C76H139N3O28 > 1541.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260184 > - > - > Active (generated by computational methods) > - $$$$