Accord 08271317192D 122128 0 0 0 0 0 0 0 0999 V2000 24.2855 7.6661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5763 8.0744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8668 7.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6956 6.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8755 6.9568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1325 6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1325 5.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4232 6.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9624 8.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1809 8.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7086 6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9937 6.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2787 6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5638 6.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8489 6.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1516 8.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4366 7.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7216 8.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0067 7.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2916 8.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5769 7.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 8.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1469 7.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8489 5.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1469 6.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3634 6.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5801 6.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7967 6.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0133 6.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2300 6.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0724 5.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2959 5.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5193 5.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7428 5.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9663 5.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1897 5.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4132 5.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6367 5.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3513 10.0139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4397 10.2746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5224 10.0342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0483 10.8554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9599 10.5949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5360 10.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5514 9.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8317 10.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5386 10.5612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8773 10.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0305 11.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8899 10.3117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9782 10.5724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0610 10.3320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5869 11.1532 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4985 10.8927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0746 11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0900 10.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3703 10.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 11.6873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4159 11.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5691 11.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4222 9.6689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5105 9.9296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5933 9.6892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1192 10.5104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0308 10.2499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6069 10.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6223 9.5184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9026 9.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6095 10.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9482 10.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1014 10.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4940 9.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8107 9.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0810 9.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9608 9.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0491 10.2274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1319 9.9870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6577 10.8082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5694 10.5477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1455 10.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1609 9.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4412 10.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6471 11.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4868 10.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6400 11.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6428 10.2720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8960 9.6876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5513 8.8043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6083 8.9033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3549 9.4879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9077 9.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2944 9.5364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9955 8.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2749 9.1325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6998 10.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9297 9.8839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3808 9.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7506 9.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1381 8.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0474 7.5061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1358 7.7667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2185 7.5264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7444 8.3476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6561 8.0871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2321 8.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2476 7.3556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5278 7.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7337 8.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5734 8.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7266 8.6639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6619 9.8162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6705 8.9928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8787 8.7670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1407 8.0676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3038 8.9925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9205 8.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1049 9.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7322 8.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4176 7.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0956 9.2185 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 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 95102 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 83113 1 0 0 0 0 M END > LMSP0505AH01 > > Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O37 > 1737.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261028 > - > - > Active (generated by computational methods) > - $$$$