Accord 08271317182D 133140 0 0 0 0 0 0 0 0999 V2000 24.1748 7.3061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4255 7.7376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6760 7.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6078 6.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7416 6.5569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9243 7.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9567 6.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9567 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2075 6.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8334 8.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0078 8.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4526 6.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6974 6.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9421 6.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1868 6.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4316 6.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6763 6.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9211 6.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1658 6.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4106 6.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6553 6.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9001 6.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1448 6.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3895 6.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6343 6.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9204 7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1651 7.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4099 7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6546 7.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8994 7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1441 7.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3888 7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6336 7.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8783 7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1231 7.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3678 7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6126 7.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8574 7.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1022 7.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9293 10.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2440 9.7859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2810 10.0613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3120 9.8074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8112 10.6748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7742 10.3997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3264 10.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3991 9.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5824 10.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2728 10.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7433 10.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8487 11.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 10.1005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6245 10.3758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6555 10.1220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1546 10.9894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1177 10.7142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6699 10.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7425 9.9415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9259 10.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1434 11.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0867 10.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1922 11.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6162 12.2916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6532 12.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6843 12.3131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1834 13.1805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1464 12.9054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6986 13.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7713 12.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9546 12.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1721 13.7448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1155 13.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2210 13.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9531 11.6126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9900 11.8879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0211 11.6341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5202 12.5015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4833 12.2263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0354 12.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1081 11.4536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2915 11.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5089 12.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4523 12.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5578 12.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9725 11.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3072 11.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5363 11.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8726 13.4682 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9095 13.7436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9406 13.4897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4397 14.3572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4027 14.0820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9549 14.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0276 13.3093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2109 13.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9013 14.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3718 14.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4773 14.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8920 13.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2266 12.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4558 13.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2160 13.7828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2530 14.0582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2840 13.8043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7832 14.6718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7462 14.3966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2984 14.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3711 13.6238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 13.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7719 15.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7153 14.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 15.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3675 13.5799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3766 12.7101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5402 12.4716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7606 11.7327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9328 12.7098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5280 12.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8355 13.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3854 11.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0531 11.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7692 12.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2899 10.9335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3209 10.6803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6160 9.9686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7433 10.4603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7124 10.7136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1953 10.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6436 10.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8885 9.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 10.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4173 11.4253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4663 11.2761 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 102103 1 1 0 0 0 104103 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 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 95113 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 81123 1 0 0 0 0 M END > LMSP0502AH01 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-6(Galbeta1-3)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C86H153N3O42 > 1899.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260220 > - > - > Active (generated by computational methods) > - $$$$