Accord 08271317192D 105109 0 0 0 0 0 0 0 0999 V2000 23.2497 7.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5250 8.1480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8001 7.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6687 7.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8307 7.0061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9747 8.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0715 6.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0715 5.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3468 6.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9195 8.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1210 8.8474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6167 6.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8862 6.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1557 6.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4252 6.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6948 6.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0693 8.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3387 7.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6082 8.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8777 7.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1471 8.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4168 7.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6862 8.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9557 7.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6948 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9557 7.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1552 6.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3549 7.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5544 6.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7540 7.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9536 6.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9014 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1079 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3145 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5211 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7277 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9342 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1408 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3474 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5540 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7605 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9671 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1737 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3803 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5868 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7934 5.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9797 10.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3169 10.1297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3854 10.3960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4482 10.1505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9637 10.9895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8952 10.7234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4620 10.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4996 9.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7424 10.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4430 10.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8325 10.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9673 11.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7802 10.4340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8487 10.7003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9115 10.4548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4270 11.2938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3585 11.0276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9253 11.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9629 10.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2057 10.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4161 11.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2958 11.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4306 11.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2370 9.7772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3055 10.0435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3683 9.7980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8839 10.6370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8154 10.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3822 10.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4197 9.6234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6626 9.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3631 10.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7527 10.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8875 10.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2886 9.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6123 9.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8667 9.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7003 10.0815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7688 10.3478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8316 10.1023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3472 10.9413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2787 10.6751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8455 10.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8830 9.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1259 10.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3363 11.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2160 10.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3508 11.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8469 9.8852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8556 9.0439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0466 8.8132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2925 8.0986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4591 9.0436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0676 8.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2995 9.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8969 8.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5755 7.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2682 9.2745 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 2 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 97 98 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 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 96105 1 0 0 0 0 78 96 1 0 0 0 0 M END > LMISSP0505AB07 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C74H134N2O27 > 1482.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44260986 > - > - > Active (generated by computational methods) > - $$$$