Accord 08271317182D 111116 0 0 0 0 0 0 0 0999 V2000 24.2523 7.2874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5098 7.7150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7670 7.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6815 6.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8230 6.5450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 7.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0453 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0453 5.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3028 6.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9140 8.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0959 8.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5548 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8063 6.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0579 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3095 6.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5611 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8126 6.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0642 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3158 6.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5674 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8189 6.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0705 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3221 6.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5737 6.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8252 6.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0183 7.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2699 7.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5215 7.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7730 7.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0246 7.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2762 7.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5277 7.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7793 7.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0309 7.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2825 7.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5340 7.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7856 7.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0373 7.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2889 7.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3209 9.7448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3666 10.0177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4064 9.7661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9101 10.6257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8644 10.3530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4206 10.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4836 9.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6834 9.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3765 10.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8247 10.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9383 10.9569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6975 10.0565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7431 10.3294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7830 10.0778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2866 10.9374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2410 10.6648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7972 10.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8602 9.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0599 10.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2754 11.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2013 10.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3148 11.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7531 12.2279 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7988 12.5007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8386 12.2492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3422 13.1087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2966 12.8361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8528 13.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9158 12.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1155 12.4430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3310 13.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2569 13.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3704 13.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1231 11.5550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1687 11.8278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2085 11.5763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7122 12.4359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6665 12.1632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2227 12.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2857 11.3974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4855 11.7701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7010 12.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6268 12.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7404 12.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1514 11.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4830 10.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7191 11.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0613 13.3938 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1070 13.6667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1468 13.4152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6505 14.2747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6048 14.0021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1610 14.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2240 13.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4238 13.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1169 13.9668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5651 14.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6787 14.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0896 13.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4212 12.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6573 13.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4257 12.7580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8567 13.5045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5919 12.9765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7632 12.7395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1941 13.4861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6403 13.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0069 14.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1558 12.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5543 12.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0279 13.2678 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 3 26 2 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 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 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 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 103102 1 1 0 0 0 102104 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 103111 1 0 0 0 0 95102 1 0 0 0 0 M END > LMISSP0502BH01 > > Fucalpha2-3GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C74H133N3O32 > 1575.89 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260428 > - > - > Active (generated by computational methods) > - $$$$