Accord 08271317182D 88 91 0 0 0 0 0 0 0 0999 V2000 19.9279 7.2224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2091 7.6363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4901 7.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3433 6.5036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5124 6.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6469 7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7594 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7594 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0407 6.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6004 8.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8085 8.3299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3165 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5920 6.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8676 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1430 6.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4185 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6940 6.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9695 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2450 6.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5205 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7959 6.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0715 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3470 6.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6225 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8979 6.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1735 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 6.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7244 6.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7653 7.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0409 7.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3163 7.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5918 7.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8673 7.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1428 7.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4183 7.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6938 7.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9692 7.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2448 7.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5203 7.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7957 7.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0713 7.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3468 7.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6520 9.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9944 9.6021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0703 9.8663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1405 9.6227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6599 10.4551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5840 10.1910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1543 10.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1836 9.4495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4404 9.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1432 10.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5139 10.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6555 10.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4857 9.9039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5615 10.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6318 9.9246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1511 10.7570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0753 10.4929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6455 10.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6748 9.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9316 10.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1403 11.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0051 10.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1468 11.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6345 12.0065 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7104 12.2708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7806 12.0272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2999 12.8595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2241 12.5955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7943 12.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8237 11.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0804 12.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2891 13.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1540 12.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2956 13.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1194 11.3549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1952 11.6192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2654 11.3756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7848 12.2079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7089 11.9439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2792 12.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3085 11.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5653 11.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7740 12.7494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6388 12.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7805 12.5286 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 3 30 2 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 74 78 1 0 0 0 0 M END > LMISSP0502AO03 > > Galbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C62H115NO23 > 1241.79 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260278 > - > - > Active (generated by computational methods) > - $$$$