Accord 08271317192D 115120 0 0 0 0 0 0 0 0999 V2000 20.6912 7.7881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9498 8.2149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2082 7.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1199 7.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2626 7.0466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4329 8.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4859 6.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4859 5.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7445 7.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3534 8.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5365 8.9304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9976 6.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2502 7.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5029 6.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7555 7.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0083 6.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4606 8.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7132 7.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9659 8.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2185 7.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4711 8.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7239 7.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9765 8.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2291 7.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0083 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2291 7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4102 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5914 7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7725 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9536 7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1348 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1966 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3849 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5732 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7614 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9497 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1380 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3263 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5146 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7029 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8912 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0795 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2677 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4381 10.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7600 10.2422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8070 10.5147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8482 10.2635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3526 11.1219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3055 10.8496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8624 11.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9239 10.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1262 10.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8198 10.8143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2645 11.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3793 11.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1417 10.5535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1888 10.8260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2300 10.5748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7344 11.4331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6873 11.1609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2442 11.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3056 10.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5080 10.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7232 11.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6462 11.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7611 11.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6734 10.8726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8928 10.2618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5325 9.3385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5468 9.4420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3272 10.0530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8597 9.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3092 10.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9515 8.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0885 9.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6877 10.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8827 10.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9605 7.9814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0075 8.2539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0487 8.0027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5531 8.8610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5061 8.5888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0629 8.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1244 7.8241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3267 8.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0203 8.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4650 8.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5798 9.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9902 7.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3213 7.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5585 7.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4922 8.0919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0617 7.3465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2292 7.5647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1930 7.3281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8319 8.0735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2789 7.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6887 7.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7937 7.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 6.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6646 7.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0451 11.7307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3636 12.4503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4104 12.7221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4207 13.7133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1024 12.9938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8512 13.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2454 12.0209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8875 13.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6263 14.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0555 12.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4728 13.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0234 11.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1876 11.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6518 12.1289 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 63 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 74 78 1 0 0 0 0 92 93 1 1 0 0 0 93 94 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 92101 1 0 0 0 0 85 92 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 108113 1 0 0 0 0 113114 1 0 0 0 0 113115 2 0 0 0 0 64102 1 0 0 0 0 M END > LMISSP0505DR03 > > Fucalpha1-3GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O32 > 1631.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261694 > - > - > Active (generated by computational methods) > - $$$$