Accord 08271317192D 128134 0 0 0 0 0 0 0 0999 V2000 22.0649 7.7908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3227 8.2180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5803 7.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4940 7.0485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6358 7.0485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8073 8.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8583 6.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8583 5.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1161 7.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7267 8.9179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9089 8.9343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3684 6.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6202 7.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8721 6.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1240 7.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3759 6.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8318 8.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0837 7.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3356 8.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5874 7.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8392 8.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0913 7.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3430 8.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5949 7.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3759 5.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5949 7.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7751 6.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9555 7.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1357 6.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3159 7.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4962 6.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5634 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7508 5.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9382 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1257 5.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3131 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5005 5.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6880 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8754 5.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0628 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2503 5.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4377 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6251 5.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8126 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8125 10.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1337 10.2475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1797 10.5203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2199 10.2688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7237 11.1280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6777 10.8555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2341 11.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2967 10.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4971 10.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1904 10.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6376 11.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7515 11.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5116 10.5591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5577 10.8319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5979 10.5804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1017 11.4397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0557 11.1671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6121 11.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6746 10.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8751 10.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0905 11.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0156 11.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1295 11.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0397 10.8786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2582 10.2671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8975 9.3428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9108 9.4464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6920 10.0581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2240 9.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6751 10.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3159 8.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4520 9.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0529 10.9824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2470 10.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3239 7.9843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3699 8.2571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4101 8.0056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9139 8.8648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8679 8.5923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4243 8.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4869 7.8268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6873 8.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3806 8.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8278 8.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 9.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3526 7.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6840 7.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9204 7.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7018 8.2959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7479 8.5687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7880 8.3172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2919 9.1765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2459 8.9039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8022 9.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8648 8.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0653 8.5109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2807 9.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2058 9.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3197 9.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8519 8.0949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8609 7.2333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0323 6.9970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2601 6.2652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4307 7.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0297 6.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3155 7.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8790 6.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5499 5.7752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2593 7.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4117 11.7375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7295 12.4578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7753 12.7300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7857 13.7222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4680 13.0019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2165 13.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6112 12.0280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2518 13.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9914 14.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4222 12.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8388 13.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3890 11.9162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5533 11.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0170 12.1361 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 88 94 1 0 0 0 0 105106 1 1 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 109114 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 105114 1 0 0 0 0 87105 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 66115 1 0 0 0 0 M END > LMISSP0505DS04 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galalpha1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C86H155N3O37 > 1822.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261703 > - > - > Active (generated by computational methods) > - $$$$