Accord 08271317182D 121127 0 0 0 0 0 0 0 0999 V2000 24.2933 7.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5916 7.5653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8895 7.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6989 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8876 6.4594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9954 7.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1525 6.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1525 5.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4507 6.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9736 8.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2004 8.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7437 6.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0364 6.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3290 6.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6216 6.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9143 6.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2069 6.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4995 6.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7921 6.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0848 6.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3774 6.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6700 6.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9626 6.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2553 6.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5479 6.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1819 7.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4745 7.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7671 7.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0597 7.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3524 7.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6450 7.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9376 7.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2302 7.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5229 7.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8155 7.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1081 7.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4007 7.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6935 7.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9861 7.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3582 9.4837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4562 9.7416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5487 9.5039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0796 10.3163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9816 10.0586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5621 10.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5668 9.3348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8653 9.6870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5753 10.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8892 10.2962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0514 10.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9335 9.7784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0315 10.0363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1240 9.7985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6549 10.6109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5569 10.3532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1374 10.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1421 9.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4406 9.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6443 11.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4645 10.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6267 10.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5026 9.1424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6006 9.4003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6931 9.1625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2239 9.9749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1259 9.7172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7065 9.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7112 8.9935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0097 9.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7197 9.6839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0336 9.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1957 10.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5842 8.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8976 8.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1756 8.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0716 8.5064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1697 8.7643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2621 8.5265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7930 9.3390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6950 9.0812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2756 9.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2802 8.3575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5788 8.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7825 9.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6026 9.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7648 9.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6407 7.8704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7387 8.1283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8312 7.8905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3621 8.7030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2641 8.4453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8446 8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8493 7.7215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1478 8.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8578 8.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1717 8.6829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3339 9.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7223 7.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0357 7.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3138 7.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3579 7.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9505 7.2695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1625 7.4759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1818 7.2520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7865 7.9576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2630 7.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5439 7.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7503 7.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1818 6.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5746 7.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 10.1776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5161 9.7777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9429 10.3566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9849 10.6630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8645 10.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3426 11.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1080 9.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3784 10.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7109 10.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4378 10.3837 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 16 17 1 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 24 25 1 0 0 0 0 3 26 2 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 31 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 70 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 103104 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 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 102111 1 0 0 0 0 95102 1 0 0 0 0 112113 1 1 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 112121 1 0 0 0 0 71112 1 0 0 0 0 M END > LMISSP0504AS01 > > Fucalpha1-3GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O36 > 1721.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260756 > - > - > Active (generated by computational methods) > - $$$$