Accord 08271317182D 106110 0 0 0 0 0 0 0 0999 V2000 23.2170 7.2658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4824 7.6886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7477 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6416 6.5312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7923 6.5312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9518 7.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0228 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0228 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2883 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8823 8.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0730 8.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5483 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8079 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0676 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3271 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5868 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8463 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1059 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3656 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6251 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8848 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1443 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4040 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6636 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9232 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1828 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4424 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7020 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9616 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2212 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4808 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7404 6.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0070 7.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2666 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5261 7.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7858 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0453 7.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3050 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5646 7.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8242 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0838 7.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3434 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6030 7.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8626 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1222 7.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3818 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9575 9.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2851 9.6993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3402 9.9694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3894 9.7204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8980 10.5715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8429 10.3015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4035 10.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4560 9.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6735 9.9122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3697 10.2665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7938 10.5505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9161 10.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6973 10.0079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7524 10.2781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8016 10.0290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3102 10.8802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2551 10.6102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8157 10.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8682 9.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0857 10.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2991 11.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2060 10.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3283 11.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7819 12.1579 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8370 12.4281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8862 12.1790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3948 13.0301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3397 12.7601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9003 13.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9528 12.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1703 12.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3837 13.5837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2905 13.0091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4128 13.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1876 11.4916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2426 11.7618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2919 11.5127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8004 12.3638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7454 12.0938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3060 12.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3585 11.3356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5760 11.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7894 12.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6962 12.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8185 12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2255 11.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5538 10.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7974 11.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2722 13.5071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3272 13.7773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3765 13.5282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8850 14.3793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8300 14.1093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3905 14.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4431 13.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6605 13.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8739 14.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7808 14.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9031 14.7072 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 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 > LMISSP0502BA05 > > Galalpha1-4GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C74H136N2O28 > 1500.93 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260376 > - > - > Active (generated by computational methods) > - $$$$