Accord 08271317192D 108112 0 0 0 0 0 0 0 0999 V2000 22.1529 8.9795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4232 9.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6933 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5747 8.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7311 8.2498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8829 9.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9666 7.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9666 6.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2370 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8205 10.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0165 10.1038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5019 7.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7664 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0309 7.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2954 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5600 7.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8244 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0889 7.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3534 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6179 7.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8824 8.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1469 7.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1564 6.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8927 6.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9021 5.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1687 5.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4312 5.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6978 5.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9601 5.6879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2268 5.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4891 5.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7559 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0181 5.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2848 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5472 5.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9575 9.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2221 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4865 9.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7510 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0154 9.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2801 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5445 9.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8090 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0736 9.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3381 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6025 9.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8669 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1316 9.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3960 8.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8884 11.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2206 11.3967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2820 11.6650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3376 11.4176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8494 12.2630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7880 11.9949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3516 12.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3970 11.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6265 11.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3247 11.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7325 12.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8607 12.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6568 11.7033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7182 11.9716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7739 11.7242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2857 12.5696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2243 12.3015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7879 12.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8333 11.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0628 11.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2747 13.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1688 12.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2970 12.8954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0867 11.0415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1481 11.3098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2037 11.0624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7155 11.9078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6541 11.6397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2177 11.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2631 10.8865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4926 11.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1908 11.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5986 11.8870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7268 12.2336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1310 10.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4571 10.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7058 10.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5165 10.3797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5779 10.6480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6335 10.4006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1453 11.2460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0839 10.9779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6475 11.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6929 10.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9224 10.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1344 11.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0284 11.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1566 11.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1004 10.6940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3315 10.0924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9766 9.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0058 9.2849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7744 9.8867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3140 9.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 9.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4044 8.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1295 10.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3366 10.2945 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 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 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 0 100 99 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 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 94 98 1 0 0 0 0 M END > LMISSP0504BU06 > > Galalpha1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C76H140N2O28 > 1528.96 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260969 > - > - > Active (generated by computational methods) > - $$$$