Accord 08271317192D 132139 0 0 0 0 0 0 0 0999 V2000 24.3075 7.5830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6200 7.9787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9323 7.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7050 6.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9100 6.8954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1898 6.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1898 5.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5023 6.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9943 8.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2367 8.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8097 6.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1167 6.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4237 6.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7307 6.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0378 6.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2390 7.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5460 7.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8530 7.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1600 7.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4669 7.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7741 7.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0810 7.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3880 7.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0378 5.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3880 6.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6287 6.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8694 6.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1101 6.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3507 6.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5915 6.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2852 5.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5325 5.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7798 5.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0271 5.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2744 5.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5217 5.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7691 5.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0164 5.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3712 9.8587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4876 10.1113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5985 9.8784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1389 10.6743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0226 10.4219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6117 10.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5959 9.7128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9290 10.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6449 10.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9117 10.6547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0910 10.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0161 10.1473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1325 10.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2434 10.1671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7838 10.9630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6675 10.7105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2565 10.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2408 10.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5739 10.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7735 11.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5566 10.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7359 11.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6549 9.5243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7713 9.7769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8822 9.5440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4226 10.3399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3063 10.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8954 10.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8796 9.3784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2127 9.7234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9286 10.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1954 10.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3747 10.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7552 9.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0622 8.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3549 9.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2998 9.8129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4162 10.0656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5271 9.8326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0675 10.6286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9512 10.3761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5402 10.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5245 9.6670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8576 10.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0572 11.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8403 10.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0196 10.9352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0837 10.1088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3599 9.5424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0258 8.6863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1117 8.7822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8354 9.3488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4019 9.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7460 9.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4871 8.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7885 9.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1697 10.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4232 9.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8298 9.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1882 9.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5946 8.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5681 7.4279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6844 7.6805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7953 7.4476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3358 8.2435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2194 7.9910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8085 8.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7928 7.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1259 7.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3254 8.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1086 8.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2878 8.5502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3091 7.2820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9100 6.5908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1379 6.7931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1772 6.5737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7696 7.2650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2568 7.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4913 6.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7342 6.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1772 6.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 7.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0408 9.6670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0492 8.8690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2817 8.6501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5663 7.9722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7244 8.8687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3529 8.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4702 9.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1397 8.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8348 7.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4919 9.0877 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 95102 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 108113 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 83123 1 0 0 0 0 M END > LMSP0505AI01 > > Fucalpha1-2Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C86H153N3O41 > 1884.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261036 > - > - > Active (generated by computational methods) > - $$$$