Accord 08271317192D 106110 0 0 0 0 0 0 0 0999 V2000 23.2863 7.7358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5602 8.1538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8338 7.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7062 7.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8665 7.0096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0128 8.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1058 6.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1058 5.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3796 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9555 8.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1554 8.8547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6481 6.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9161 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1841 6.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4522 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7203 6.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1015 8.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3696 7.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6376 8.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9056 7.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1735 8.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4418 7.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7097 8.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9777 7.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7203 5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9777 7.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1756 6.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3737 7.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5716 6.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7695 7.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9676 6.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9253 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1302 5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3352 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5402 5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7452 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9502 5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1552 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3601 5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5651 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7701 5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9751 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1801 5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3851 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5900 5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7950 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0178 10.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3537 10.1395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4203 10.4064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4812 10.1603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9958 11.0010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9291 10.7344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4951 10.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5347 9.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7741 10.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4740 10.6998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8683 10.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0014 11.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8098 10.4444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8765 10.7113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9374 10.4652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4520 11.3059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3853 11.0392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9513 11.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9909 10.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2303 10.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4410 11.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3245 11.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4576 11.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4129 10.7569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6483 10.1587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2954 9.2544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3299 9.3557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0943 9.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6365 9.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0562 10.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7264 8.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8811 9.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4474 10.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6589 10.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7934 12.2429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1259 12.9477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1924 13.2139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2025 14.1847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8701 13.4800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6241 13.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0102 12.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6802 13.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6000 14.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8037 13.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2329 13.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7927 12.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9536 12.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4288 12.6329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9358 13.9356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2683 14.6404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3348 14.9066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3449 15.8774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0125 15.1727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7664 15.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1526 14.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8226 15.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6138 16.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9460 14.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3753 15.6442 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 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 67 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 70 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 > LMISSP0506AN05 > > Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C74H136N2O28 > 1500.93 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261920 > - > - > Active (generated by computational methods) > - $$$$