Accord 08271317182D 112117 0 0 0 0 0 0 0 0999 V2000 24.1983 7.3087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4481 7.7408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6976 7.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6319 6.5585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7646 6.5585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9488 7.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9787 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9787 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2285 6.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8565 8.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0299 8.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4727 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7165 6.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9603 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2041 6.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4479 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6917 6.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9355 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1792 6.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4230 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6668 6.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9106 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1544 6.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3982 6.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6420 6.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9411 7.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1849 7.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4287 7.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6724 7.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9162 7.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1600 7.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4038 7.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6476 7.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8914 7.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1352 7.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3790 7.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6228 7.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8667 7.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1104 7.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9538 10.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2677 9.7916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3034 10.0673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3332 9.8132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8317 10.6817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7960 10.4062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3476 10.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4216 9.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6027 10.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2926 10.3705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7663 10.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8706 11.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6065 10.1066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6423 10.3823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6721 10.1281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1706 10.9967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1348 10.7212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6864 10.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7605 9.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9415 10.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1593 11.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1051 10.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2095 11.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6315 12.3005 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6672 12.5762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6971 12.3220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1956 13.1906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1598 12.9151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7114 13.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7855 12.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9665 12.5178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1843 13.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1301 13.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2345 13.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9637 11.6206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9994 11.8963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0293 11.6421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5278 12.5107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4920 12.2352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0436 12.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1177 11.4614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2987 11.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5165 12.9384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4623 12.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5667 12.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9819 11.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3170 11.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5451 11.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8805 13.4786 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9163 13.7543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9461 13.5002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4446 14.3687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4089 14.0932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9605 14.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0345 13.3194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 13.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9055 14.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3791 14.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4835 14.7033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8988 13.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2338 12.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4620 13.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2194 13.7936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2551 14.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2850 13.8151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7835 14.6837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7477 14.4082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2993 14.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3734 13.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 14.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7722 15.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 14.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8224 15.0183 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 M END > LMISSP0502BG01 > > Galbeta1-4GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C74H133N3O33 > 1591.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260420 > - > - > Active (generated by computational methods) > - $$$$