Accord 08271317182D 106110 0 0 0 0 0 0 0 0999 V2000 22.2747 8.9541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5486 9.3721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8222 8.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6946 8.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8550 8.2279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0013 9.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0942 7.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0942 6.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3681 8.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9439 10.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1438 10.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6365 7.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9045 8.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1725 7.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4405 8.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7086 7.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9765 8.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2446 7.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5126 8.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7806 7.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0486 8.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 7.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3261 6.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0588 6.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0682 5.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3383 5.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6043 5.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 5.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1403 5.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4105 5.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6763 5.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9466 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2124 5.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0899 9.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3580 8.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6259 9.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8940 8.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1619 9.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4300 8.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6980 9.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9660 8.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2341 9.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5021 8.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7701 9.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0380 8.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3062 9.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5741 8.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0068 11.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3421 11.3597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4080 11.6268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4682 11.3806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9824 12.2219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9165 11.9550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4821 12.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5225 11.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7605 11.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4601 11.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8564 12.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9888 12.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7955 11.6648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8613 11.9319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9215 11.6857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4357 12.5271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3698 12.2602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9354 12.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9759 11.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2138 11.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4247 13.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3097 12.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4421 12.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2423 11.0062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3082 11.2733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3684 11.0271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8825 11.8684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8167 11.6015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3823 11.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4227 10.8520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6606 11.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3603 11.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7566 11.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8890 12.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2912 10.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6158 10.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8681 10.6470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6892 10.3476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7551 10.6147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8152 10.3684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3294 11.2098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2635 10.9429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8292 11.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8696 10.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1075 10.5581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3185 11.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2035 11.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3358 11.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1361 9.6889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2020 9.9560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2621 9.7098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7763 10.5512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7104 10.2843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2760 10.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3165 9.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7654 11.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6504 10.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7827 10.8753 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 3 34 2 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 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 78 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 92 96 1 0 0 0 0 M END > LMISSP0504AQ05 > > Galbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C74H136N2O28 > 1500.93 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260744 > - > - > Active (generated by computational methods) > - $$$$