Accord 08271317182D 128134 0 0 0 0 0 0 0 0999 V2000 23.6994 7.2780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9604 7.7036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2211 7.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1266 6.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2722 6.5391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4388 7.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4979 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4979 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7590 6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3628 8.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5485 8.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0144 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2694 6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5245 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7796 6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0347 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2897 6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5448 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7998 6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0549 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3099 6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5649 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8201 6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0751 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3302 6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5852 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8403 6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0953 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6054 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8606 6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4759 7.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7309 7.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9859 7.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2410 7.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4961 7.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7512 7.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0062 7.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2613 7.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5163 7.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7714 7.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0264 7.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2814 7.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5366 7.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7916 7.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4441 9.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7679 9.7253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8175 9.9971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8614 9.7466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3671 10.6026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3174 10.3310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8755 10.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9341 9.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1413 9.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8358 10.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2737 10.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3910 10.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1596 10.0358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2092 10.3075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2530 10.0570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7588 10.9130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7091 10.6415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2672 10.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3257 9.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5330 10.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7476 11.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6654 10.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7827 11.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2275 12.1980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.2771 12.4698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3209 12.2193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8267 13.0752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7770 12.8037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3351 13.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3936 12.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6009 12.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8155 13.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7333 13.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8506 13.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6126 11.5279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6622 11.7997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7061 11.5492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2118 12.4052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1621 12.1336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7202 12.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7788 11.3711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9860 11.7422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2007 12.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1184 12.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2357 12.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6450 11.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9752 10.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2145 11.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9977 10.8579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0474 11.1296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0912 10.8791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5969 11.7351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5473 11.4635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1053 11.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1639 10.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3712 11.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5858 12.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5035 11.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6208 12.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5595 13.3592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8798 14.0768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9293 14.3479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9396 15.3363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6193 14.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3688 15.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 13.6486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4077 14.8806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3261 15.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5699 14.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9887 15.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5406 13.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7043 13.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1700 13.7563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 14.0332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8472 14.7765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5877 14.2507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7625 14.0148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1915 14.7582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6400 14.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9968 15.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1534 13.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 13.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0219 14.5408 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 3 32 2 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 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 87 94 1 0 0 0 0 105106 1 1 0 0 0 107106 1 1 0 0 0 108107 1 1 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 109114 1 0 0 0 0 105114 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 116117 1 0 0 0 0 116118 2 0 0 0 0 90105 1 0 0 0 0 120119 1 1 0 0 0 119121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 120128 1 0 0 0 0 112119 1 0 0 0 0 M END > LMISSP0502BJ04 > > Galbeta1-3(Fucalpha2-3GlcNAcbeta1-6)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C86H155N3O37 > 1822.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260447 > - > - > Active (generated by computational methods) > - $$$$