Accord 08271317182D 101105 0 0 0 0 0 0 0 0999 V2000 20.3957 7.2843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6544 7.7111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9129 7.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8242 6.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9672 6.5430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1373 7.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1906 6.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1906 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4493 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0579 8.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2412 8.4265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7025 6.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9553 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2081 6.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4609 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7137 6.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9664 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2193 6.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4721 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7248 6.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9776 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2305 6.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4832 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 6.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9887 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2416 6.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4944 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7471 6.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1653 7.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4182 7.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6710 7.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9237 7.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1765 7.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4294 7.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6821 7.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9349 7.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1876 7.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4405 7.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6933 7.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9460 7.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1989 7.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4517 7.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1425 9.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4643 9.7385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5112 10.0111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5523 9.7598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0566 10.6183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0097 10.3460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5665 10.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6281 9.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8302 9.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5238 10.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9687 10.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0835 10.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8456 10.0499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8925 10.3224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9336 10.0712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4379 10.9296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3910 10.6573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9478 10.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0094 9.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2115 10.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4268 11.4880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3500 10.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4648 11.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7486 11.2272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7955 11.4997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8366 11.2485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3409 12.1069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2940 11.8346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8508 12.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9123 11.0698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1145 11.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3297 12.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2530 12.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3677 12.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7782 10.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1093 10.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3464 10.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 10.5552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1702 10.8277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2113 10.5764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7156 11.4349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6687 11.1626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2255 11.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2871 10.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4892 10.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7044 11.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6277 11.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7424 11.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7654 10.3978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3349 9.6524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5022 9.8705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4660 9.6339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1049 10.3795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5519 10.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9620 9.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 9.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4660 9.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9377 10.1614 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 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 64 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 93 94 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 92101 1 0 0 0 0 87 92 1 0 0 0 0 M END > LMISSP0503AI03 > > Fucalpha1-2Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C70H128N2O27 > 1428.87 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260550 > - > - > Active (generated by computational methods) > - $$$$