Accord 08271317182D 114119 0 0 0 0 0 0 0 0999 V2000 21.0565 7.3022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3087 7.7329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5606 7.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4888 6.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6242 6.5544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8047 7.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8408 6.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8408 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0930 6.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7158 8.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8918 8.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3396 6.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5857 6.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8319 6.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0781 6.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3243 6.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5704 6.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8166 6.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0628 6.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3089 6.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5551 6.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8013 6.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0475 6.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2936 6.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5398 6.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7860 6.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0322 6.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8064 7.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0526 7.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2988 7.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5450 7.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7911 7.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0373 7.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2835 7.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5297 7.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7758 7.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0220 7.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2682 7.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5144 7.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7606 7.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0068 7.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8096 10.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1257 9.7773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1645 10.0521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1973 9.7988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6974 10.6645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6586 10.3899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2117 10.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2823 9.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4691 9.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1600 10.3543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6259 10.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7330 10.9981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4761 10.0913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5149 10.3661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5477 10.1127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0478 10.9785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0091 10.7039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5621 10.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6327 9.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8195 10.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0366 11.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9763 10.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0834 11.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5104 12.2783 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5492 12.5531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5821 12.2997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0822 13.1655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0434 12.8909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5964 13.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6671 12.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8539 12.4949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0709 13.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0106 13.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1178 13.4991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8542 11.6005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8930 11.8754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9259 11.6220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4260 12.4878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3872 12.2131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9402 12.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0109 11.4418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1976 11.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4147 12.9141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3544 12.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4616 12.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8755 11.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2095 10.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4401 11.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3870 13.4656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6995 14.1914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7381 14.4657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7485 15.4654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4361 14.7397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1827 15.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5803 13.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2106 15.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9558 15.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3975 14.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8097 15.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3564 13.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5220 13.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9816 13.8673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2110 14.1100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2498 14.3849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2827 14.1315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7827 14.9973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7440 14.7226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2970 14.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3676 13.9513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 14.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7715 15.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7112 14.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8184 15.3308 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 3 28 2 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 73 90 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 97104 1 0 0 0 0 M END > LMISSP0502BL02 > > GalNAcbeta1-3(Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O33 > 1619.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260461 > - > - > Active (generated by computational methods) > - $$$$