Accord 08271317192D 83 86 0 0 0 0 0 0 0 0999 V2000 16.8163 7.7129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0968 8.1271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3771 7.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2322 6.9934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4003 6.9934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5360 8.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6466 6.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6466 5.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9272 6.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4885 8.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6957 8.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2023 6.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4771 6.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7519 6.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0267 6.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3015 6.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6516 8.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9264 7.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2012 8.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4759 7.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7506 8.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0256 7.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3002 8.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5750 7.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3015 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5750 7.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7803 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9858 7.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1911 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3964 7.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6018 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5138 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7261 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1508 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3631 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5754 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7877 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5410 10.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8830 10.0944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9582 10.3588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0278 10.1151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5468 10.9480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4716 10.6838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0416 10.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0716 9.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3272 10.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0298 10.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4021 10.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5432 11.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3718 10.3965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4471 10.6609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5166 10.4171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0357 11.2501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9604 10.9859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5304 11.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5605 10.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8160 10.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 11.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8910 11.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0320 11.5710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0062 10.7062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2486 10.1134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8990 9.2174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9424 9.3179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6997 9.9108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2461 9.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6527 9.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3352 8.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4977 9.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0496 10.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2684 10.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0543 10.2438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0630 9.4087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2598 9.1796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5112 8.4701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6766 9.4084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2879 9.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5037 9.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1112 8.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7921 7.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4798 9.6376 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 59 63 1 0 0 0 0 74 75 1 1 0 0 0 75 76 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 74 83 1 0 0 0 0 58 74 1 0 0 0 0 M END > LMISSP0505DI01 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C58H107NO22 > 1169.73 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261620 > - > - > Active (generated by computational methods) > - $$$$