Accord 08271317182D 117122 0 0 0 0 0 0 0 0999 V2000 23.3295 7.2731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5923 7.6975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8549 7.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7557 6.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9033 6.5359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0670 7.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1310 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1310 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3938 6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9936 8.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1814 8.4089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6512 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9081 6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1651 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4219 6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6789 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9358 6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1927 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4496 6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7065 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9635 6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2204 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4774 6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7342 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9912 6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2481 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5051 6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2758 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5327 6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7896 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0465 6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1115 7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3684 7.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6253 7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8823 7.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1391 7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3961 7.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6530 7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9100 7.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1668 7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4238 7.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6807 7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9376 7.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1946 7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4514 7.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0727 9.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3979 9.7154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4495 9.9866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4953 9.7366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0021 10.5908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9505 10.3198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5095 10.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5658 9.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7768 9.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4719 10.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9048 10.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0239 10.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7971 10.0252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8487 10.2963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8945 10.0464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4013 10.9006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3497 10.6296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9087 10.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9650 9.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1760 10.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3902 11.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3040 10.8795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4231 11.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8711 12.1829 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9227 12.4541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9686 12.2041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4753 13.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4237 12.7873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9827 13.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0390 12.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2500 12.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4642 13.6139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3780 13.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4971 13.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4195 12.5005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6426 11.8926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2840 10.9738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3031 11.0767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0797 11.6848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6145 11.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0571 11.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7059 10.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8470 11.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4385 12.6037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6374 12.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8753 10.6095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0985 10.0016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7399 9.0827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7589 9.1857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5356 9.7938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0704 9.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5129 9.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1617 8.6146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3029 9.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8944 10.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0932 10.2058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1755 7.7322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2271 8.0033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2729 7.7533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7797 8.6075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7281 8.3366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2870 8.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3434 7.5756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7686 9.0282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6823 8.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8015 8.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2099 7.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5394 7.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7803 7.3675 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 78 82 1 0 0 0 0 93 94 1 1 0 0 0 95 94 1 1 0 0 0 96 95 1 1 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 97102 1 0 0 0 0 93102 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 98103 1 0 0 0 0 89 93 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 115116 1 0 0 0 0 115117 2 0 0 0 0 100104 1 0 0 0 0 M END > LMISSP0502AQ05 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C80H146N2O33 > 1662.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260296 > - > - > Active (generated by computational methods) > - $$$$