Accord 08271317182D 107111 0 0 0 0 0 0 0 0999 V2000 21.8478 9.0339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1075 9.4601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3669 9.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2758 8.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4198 8.2936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5884 9.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6442 7.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6442 6.9998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9040 8.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5105 10.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6948 10.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1582 7.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4119 8.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6657 7.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9195 8.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1733 7.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4270 8.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6808 7.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9346 8.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1883 7.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4421 8.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6959 7.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7055 6.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4526 6.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4622 5.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7180 5.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9698 5.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2257 5.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4773 5.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 5.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9848 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2409 5.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4924 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7484 5.6714 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 19.6204 9.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8742 9.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1279 9.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3818 9.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6355 9.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8894 9.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1431 9.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3969 9.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6507 9.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9045 9.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1582 9.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4119 9.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 9.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 9.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5941 11.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9165 11.4863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9642 11.7586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0060 11.5076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5108 12.3653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4631 12.0933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0202 12.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0809 11.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2846 11.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9784 12.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4213 12.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5368 12.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3008 11.7974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3485 12.0697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3904 11.8187 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8951 12.6764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8474 12.4043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4045 12.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4653 11.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6689 12.0120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8839 13.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8056 12.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9211 13.0069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2063 12.9737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2540 13.2460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2959 12.9950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8006 13.8527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7529 13.5806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3101 13.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3708 12.8165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5744 13.1884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7895 14.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7112 13.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8266 14.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2367 12.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5676 12.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8054 12.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5841 12.3023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6318 12.5746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6737 12.3235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1784 13.1813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1307 12.9092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6879 13.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7486 12.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9522 12.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1672 13.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0889 13.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2044 13.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2273 12.1451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7972 11.4002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9652 11.6182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9298 11.3818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5682 12.1267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0156 11.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4237 11.5682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5301 11.1831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9298 10.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4003 11.9088 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 70 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 93 98 1 0 0 0 0 M END > LMISSP0503AI08 > > Fucalpha1-2Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C76H138N2O27 > 1510.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260555 > - > - > Active (generated by computational methods) > - $$$$