Accord 08271317192D 107111 0 0 0 0 0 0 0 0999 V2000 21.9424 7.7725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2055 8.1967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4685 7.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3684 7.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5163 7.0356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6795 8.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7445 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7445 5.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0076 7.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6067 8.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7947 8.9078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2652 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5225 7.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7797 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0370 7.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2943 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7254 8.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9826 7.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2398 8.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4971 7.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7542 8.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0117 7.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2688 8.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5260 7.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2943 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5260 7.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7121 6.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8984 7.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0845 6.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2706 7.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4568 6.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4876 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6808 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8741 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0674 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2606 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4539 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6471 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8404 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0337 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2269 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4202 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6135 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6846 10.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0107 10.2116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0636 10.4824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1107 10.2328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6181 11.0858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5652 10.8152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1248 11.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1797 10.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3931 10.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0886 10.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5182 11.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6385 11.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4147 10.5210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4675 10.7918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5146 10.5421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0220 11.3952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9691 11.1246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5287 11.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5837 10.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7970 10.7345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0109 11.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9222 11.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0424 11.7239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9676 10.8381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1918 10.2311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8337 9.3134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8540 9.4163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6296 10.0235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1650 9.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6057 10.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2563 8.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3985 9.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9879 10.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1878 10.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2713 7.9646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3242 8.2355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3713 7.9858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8787 8.8389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8258 8.5683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3854 8.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4403 7.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6537 8.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3492 8.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7788 8.8178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8991 9.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3070 7.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6360 7.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8779 7.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3370 11.6909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6597 12.4061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7123 12.6763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7226 13.6614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4001 12.9463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1504 13.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5422 11.9793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1926 13.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9269 14.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3474 12.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7682 13.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3216 11.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4848 11.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9523 12.0867 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 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 65 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 66 94 1 0 0 0 0 M END > LMISSP0505DP04 > > GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C74H135N3O28 > 1513.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261679 > - > - > Active (generated by computational methods) > - $$$$