Accord 08271317182D 107111 0 0 0 0 0 0 0 0999 V2000 21.6638 8.9926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9316 9.4141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1992 8.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0872 8.2603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2405 8.2603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3964 9.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4734 7.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4734 6.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7413 8.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3303 10.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5234 10.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0036 7.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2655 8.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5274 7.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7894 8.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0513 7.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3132 8.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5751 7.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8371 8.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0989 7.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3609 8.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6228 7.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6323 6.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3712 6.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3807 5.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6447 5.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9046 5.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1686 5.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4284 5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6925 5.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9522 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2164 5.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4761 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7402 5.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4608 9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7228 8.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9846 9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2466 8.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5084 9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7705 8.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0323 9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2943 8.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5562 9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8182 8.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0800 9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3419 8.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6039 9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8658 8.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4020 11.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7318 11.4182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7899 11.6875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8422 11.4392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3523 12.2876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2942 12.0185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8562 12.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9053 11.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1286 11.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8258 11.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2420 12.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3671 12.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1556 11.7259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2137 11.9952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2660 11.7469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7761 12.5953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7180 12.3262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2800 12.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3291 11.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5524 11.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7651 13.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6658 12.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7909 12.9221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5729 11.0618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6310 11.3311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6833 11.0828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1934 11.9312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1353 11.6621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6973 11.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7464 10.9063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9697 11.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6669 11.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0831 11.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2082 12.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6139 10.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9411 10.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1872 10.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9902 10.3976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0483 10.6670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1006 10.4187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6107 11.2670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5526 10.9979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1146 11.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1638 10.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3870 10.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5997 11.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5004 11.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6255 11.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1513 12.1427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4101 11.7252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8115 12.3297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8111 12.6496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7297 12.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1846 13.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0281 11.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2221 12.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 12.1659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3283 12.3580 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 25 26 1 0 0 0 0 26 27 2 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 3 36 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 98107 1 0 0 0 0 81 98 1 0 0 0 0 M END > LMSP0504AC08 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C76H138N2O27 > 1510.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260635 > - > - > Active (generated by computational methods) > - $$$$