Accord 08271317192D 97100 0 0 0 0 0 0 0 0999 V2000 24.2901 7.6598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5855 8.0655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8804 7.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6976 6.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8828 6.9550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1445 6.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1445 5.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4397 6.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9691 8.7300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1925 8.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7297 6.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0193 6.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3090 6.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5985 6.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8883 6.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1699 8.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4594 7.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7490 8.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0387 7.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3281 8.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6180 7.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9074 8.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1971 7.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8883 5.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1971 6.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4186 6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6404 6.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8619 6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0835 6.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3053 6.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1167 5.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3451 5.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5736 5.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8020 5.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0305 5.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2588 5.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4873 5.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7158 5.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 5.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1726 5.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4011 5.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6294 5.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8578 5.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0864 5.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3147 5.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 5.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7716 5.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3555 9.9926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4496 10.2516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5382 10.0129 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.0672 10.8287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9731 10.5700 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.5517 10.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5608 9.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8520 10.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5607 10.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8845 10.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0432 11.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9163 10.2884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0104 10.5474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0991 10.3087 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.6278 11.1246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5337 10.8659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.1125 11.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1215 10.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4127 10.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6172 11.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4452 11.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6038 11.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4706 9.6497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5648 9.9089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6534 9.6700 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.1823 10.4860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0882 10.2271 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6669 10.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6760 9.5003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9672 9.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4631 10.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9996 10.4658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1583 10.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5483 9.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8631 9.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1381 9.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6160 9.6612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7101 9.9202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7987 9.6813 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3277 10.4973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2336 10.2385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8122 10.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4501 9.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1125 9.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3171 11.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1450 10.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3037 10.8116 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 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 M END > LMISSP0505AA08 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C70H128N2O23 > 1364.89 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 70699272 > - > - > Active (generated by computational methods) > - $$$$