Accord 08271317182D 106110 0 0 0 0 0 0 0 0999 V2000 23.2439 7.2686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5083 7.6923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7724 7.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6691 6.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8186 6.5331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9799 7.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0480 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0480 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3125 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9088 8.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0983 8.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5713 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8298 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0884 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3468 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6054 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8639 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1224 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3809 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6395 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8979 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1564 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4149 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6734 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9320 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1904 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4490 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7075 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2245 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4831 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7415 6.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0307 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2892 7.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5476 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8062 7.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0646 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3232 7.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5817 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8402 7.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0987 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3573 7.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6157 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8742 7.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1328 7.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3912 7.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9851 9.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3120 9.7046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3661 9.9751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4144 9.7257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9224 10.5777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8683 10.3075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4284 10.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4821 9.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6977 9.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3935 10.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8202 10.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9415 10.9060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7204 10.0136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7745 10.2841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8228 10.0347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3308 10.8867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2767 10.6165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8368 10.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8905 9.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1061 10.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3197 11.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2286 10.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3499 11.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8019 12.1658 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8560 12.4363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9042 12.1869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4123 13.0390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3582 12.7687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9183 13.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9720 12.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1876 12.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4012 13.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3101 13.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4314 13.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2038 11.4988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2579 11.7693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3061 11.5200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8141 12.3720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7601 12.1017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3202 12.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3738 11.3427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5894 11.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8031 12.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7119 12.3510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8333 12.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2407 11.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5693 10.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8122 11.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2853 13.5164 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3393 13.7869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3876 13.5376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8956 14.3896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8416 14.1193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4017 14.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4553 13.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6709 13.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8845 14.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7934 14.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9148 14.7179 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 2 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 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 90 96 1 0 0 0 0 M END > LMISSP0502BA07 > > Galalpha1-4GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C74H134N2O28 > 1498.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260378 > - > - > Active (generated by computational methods) > - $$$$