Accord 08271317182D 118123 0 0 0 0 0 0 0 0999 V2000 24.2753 7.2146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5566 7.6284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8376 7.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6909 6.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8598 6.4958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9944 7.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1068 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1068 5.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3880 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9479 8.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1559 8.3220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6640 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9394 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2150 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4903 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7659 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0413 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3167 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5923 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8677 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1433 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4187 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6943 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9697 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2453 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5206 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0716 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3470 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6226 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8980 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 6.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1128 7.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3883 7.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6637 7.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9392 7.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2147 7.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4901 7.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7656 7.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0411 7.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3166 7.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5921 7.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8675 7.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1430 7.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4185 7.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6940 7.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3420 9.5958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4174 9.8602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4870 9.6165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0061 10.4493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9308 10.1852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5008 10.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5307 9.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7865 9.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4892 10.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8612 10.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0024 10.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8312 9.8979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9065 10.1623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9761 9.9185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4952 10.7514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4199 10.4872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9899 10.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0199 9.7452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2755 10.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4844 11.2931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3504 10.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4915 11.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9782 12.0018 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.0536 12.2662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1232 12.0225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6423 12.8553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5670 12.5911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1370 12.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1669 11.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4227 12.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6315 13.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4974 12.8348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6386 13.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9735 13.1440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0489 13.4084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1185 13.1647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6376 13.9975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5623 13.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1323 13.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1622 12.9914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4178 13.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6268 14.4077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4927 13.9770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6338 14.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0321 12.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3533 12.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6132 12.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4562 12.4920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5315 12.7564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6012 12.5127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1203 13.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0450 13.0814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6150 13.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6449 12.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9006 12.7004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1095 13.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9754 13.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1165 13.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3674 12.2209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7400 12.7722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0015 11.4702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0692 10.6378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4417 11.1890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4775 10.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2358 13.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3330 10.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5705 10.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8075 11.9398 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 2 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 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 70 73 1 0 0 0 0 84 85 1 1 0 0 0 86 85 1 1 0 0 0 87 86 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 84 93 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 95 96 1 0 0 0 0 95 97 2 0 0 0 0 81 84 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 91 98 1 0 0 0 0 110109 1 1 0 0 0 109111 1 1 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 110118 1 0 0 0 0 105109 1 0 0 0 0 M END > LMISSP0502BM08 > > Fucalpha2-3Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C82H148N2O32 > 1673.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260475 > - > - > Active (generated by computational methods) > - $$$$