Accord 08271317192D 91 94 0 0 0 0 0 0 0 0999 V2000 20.0741 7.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3495 8.1477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6247 7.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4930 7.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6551 7.0058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7990 8.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8961 6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8961 5.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1715 6.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7439 8.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9455 8.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4415 6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7110 6.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9806 6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2502 6.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5199 6.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8939 8.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1635 7.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4331 8.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7027 7.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9722 8.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2420 7.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5114 8.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7810 7.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5199 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7810 7.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9807 6.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1804 7.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3800 6.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5797 7.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7794 6.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7266 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9332 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1399 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3466 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5533 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9666 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1733 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7933 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8040 10.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1413 10.1291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2099 10.3954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2728 10.1499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7884 10.9888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7198 10.7227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2867 10.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3241 9.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5672 10.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2677 10.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6570 10.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7919 11.3120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6050 10.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6736 10.6996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7366 10.4541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2522 11.2930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1835 11.0269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7504 11.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7878 10.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0309 10.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2412 11.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1207 11.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2556 11.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2153 10.7452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4523 10.1482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1002 9.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1368 9.3470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8995 9.9441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4426 9.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8593 9.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5324 8.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6889 9.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2519 10.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4651 10.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5929 12.2280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9268 12.9313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9952 13.1970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0053 14.1656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6715 13.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4260 13.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8113 12.5116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4841 13.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4041 14.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6031 13.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0336 13.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5943 12.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7548 12.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2312 12.6171 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 66 78 1 0 0 0 0 M END > LMISSP0506AP03 > > Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C64H118N2O23 > 1282.81 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261934 > - > - > Active (generated by computational methods) > - $$$$