Accord 08271317192D 132139 0 0 0 0 0 0 0 0999 V2000 24.3400 7.4625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6848 7.8397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0294 7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9612 6.8072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2748 6.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2748 5.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6196 6.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0415 8.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3195 8.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9595 6.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2990 6.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6386 6.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9781 6.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3177 6.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3687 7.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7082 7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0477 7.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3873 7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7267 7.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0664 7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4059 7.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7454 7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3177 5.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7454 6.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0217 6.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2981 6.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5744 6.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8507 6.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1270 6.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6004 5.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8830 5.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1657 5.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4483 5.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7310 5.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0137 5.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 5.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5790 5.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4008 9.6313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5586 9.8721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7112 9.6501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2732 10.4087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1154 10.1681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7238 10.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6618 9.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0732 9.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8024 10.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9628 10.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1806 10.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2032 9.9064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3610 10.1472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5136 9.9252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0756 10.6838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9178 10.4432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5262 10.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4642 9.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8756 10.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0658 11.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7652 10.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9830 10.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9998 9.3126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1576 9.5534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3102 9.3314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8722 10.0900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7144 9.8494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3228 10.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2608 9.1736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6722 9.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4014 9.8182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5618 10.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7796 10.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1423 8.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4349 8.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7608 8.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8022 9.5877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9600 9.8285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1126 9.6065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6746 10.3651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5168 10.1245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1252 10.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0632 9.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4746 9.7775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6648 10.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3643 10.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5820 10.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5988 8.9939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7566 9.2347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9092 9.0127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4712 9.7713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3134 9.5307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9218 9.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8598 8.8549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2712 9.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0004 9.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1608 9.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3786 10.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7413 8.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0339 8.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 8.6700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4012 9.2690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5590 9.5098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7117 9.2878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2736 10.0464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1158 9.8058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7242 10.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6622 9.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0736 9.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2638 10.5398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9633 10.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 10.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2013 9.1300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8209 8.4713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0851 8.6640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1695 8.4550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7340 9.1138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2453 8.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 8.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7003 8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1695 7.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4699 8.9211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5336 9.0915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5416 8.3310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8101 8.1223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1284 7.4762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2790 8.3307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9250 7.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9429 8.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6748 7.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3842 7.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0105 8.5394 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 96102 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 95123 1 0 0 0 0 M END > LMISSP0505AZ01 > > Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C86H153N3O41 > 1884.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261172 > - > - > Active (generated by computational methods) > - $$$$