Accord 08271317192D 128134 0 0 0 0 0 0 0 0999 V2000 24.2857 7.6672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5765 8.0754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8672 7.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6957 6.9579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8757 6.9579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1328 6.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1328 5.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4236 6.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9626 8.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1812 8.7598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7092 6.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9944 6.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2795 6.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5647 6.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8500 6.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1520 8.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4372 7.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7224 8.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0075 7.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2926 8.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5779 7.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8630 8.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1482 7.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8500 5.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1482 6.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3649 6.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5817 6.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7984 6.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0151 6.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2319 6.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0736 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2971 5.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5207 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7443 5.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9679 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1915 5.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4151 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6387 5.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8623 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0859 5.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3095 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 5.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7567 5.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9803 5.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3514 10.0145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4399 10.2752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5228 10.0349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0488 10.8559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9603 10.5955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5364 10.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5517 9.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8322 10.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5392 10.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8775 10.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0308 11.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8906 10.3123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9791 10.5729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0620 10.3326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5879 11.1537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4994 10.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0756 11.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0908 10.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3714 10.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5772 11.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4166 11.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5700 11.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4235 9.6696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5120 9.9302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5949 9.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1208 10.5110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0323 10.2505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6084 10.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6237 9.5191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9043 9.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6112 10.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9495 10.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1029 10.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4954 9.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8121 9.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0825 9.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9626 9.9673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0511 10.2280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1340 9.9877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6600 10.8087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5715 10.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1476 10.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1629 9.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4435 10.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6493 11.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4887 10.7884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 11.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6452 10.2726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8985 9.6884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5539 8.8052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6110 8.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3575 9.4886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9104 9.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2969 9.5371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9982 8.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2777 9.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7024 10.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9323 9.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 9.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7530 9.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1406 8.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0503 7.5071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1388 7.7678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2217 7.5275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7476 8.3485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6591 8.0881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2352 8.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2505 7.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5311 7.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 8.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 8.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7297 8.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6640 9.8169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6726 8.9937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8809 8.7679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1430 8.0686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3061 8.9934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9229 8.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1069 9.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7344 8.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4199 7.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0977 9.2193 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 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 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 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 101108 1 0 0 0 0 119120 1 1 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 89119 1 0 0 0 0 M END > LMISSP0505AH04 > > Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C86H155N3O37 > 1822.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261031 > - > - > Active (generated by computational methods) > - $$$$