Accord 08271317192D 140147 0 0 0 0 0 0 0 0999 V2000 24.3203 8.6658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6461 9.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9715 8.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7101 7.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9305 7.9914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 9.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2241 7.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2241 6.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5499 7.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0131 9.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2702 9.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8706 7.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1909 7.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5113 7.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8316 7.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1520 7.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4723 7.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7926 7.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1130 7.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4333 7.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7536 7.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0740 7.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0827 6.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7631 6.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7719 5.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0941 5.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4126 5.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7349 5.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0532 5.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3756 5.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6939 5.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0163 5.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3346 5.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2916 9.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6120 8.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9323 9.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2526 8.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5729 9.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8934 8.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2136 9.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5340 8.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8544 9.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1747 8.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4950 9.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8153 8.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1357 9.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4560 8.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3828 10.8994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5155 11.1474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6428 10.9188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1917 11.7000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0591 11.4522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6558 11.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6218 10.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9857 11.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7068 11.4201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9318 11.6807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1262 12.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0897 11.1827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2223 11.4307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3497 11.2021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8986 11.9833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7659 11.7355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3626 11.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3287 11.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6926 11.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8884 12.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6387 11.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8331 12.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7906 10.5712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9232 10.8192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0505 10.5905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5995 11.3718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4668 11.1239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0635 11.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0295 10.4280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3934 10.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1146 11.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3396 11.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5339 11.6727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9074 10.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2088 10.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5146 10.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4914 9.9596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6241 10.2076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7514 9.9790 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3003 10.7602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1677 10.5124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7643 10.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7304 9.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0943 10.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2902 11.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0404 10.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2348 11.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1923 9.3480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3249 9.5960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4523 9.3674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0012 10.1486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8685 9.9008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4652 10.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4313 9.2049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7951 9.5435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5163 9.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7413 10.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9357 10.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3092 9.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6105 8.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9163 9.0145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8991 9.6314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0318 9.8794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1591 9.6507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7080 10.4320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5754 10.1842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1720 10.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1381 9.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 9.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6979 10.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4481 10.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6425 10.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0356 9.4486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0437 8.6653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2904 8.4504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5883 7.7850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7434 8.6650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3788 8.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4570 9.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 7.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8518 7.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4967 8.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6398 11.5666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9572 11.1820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4061 11.7387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4848 12.0333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3307 12.3214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8288 12.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5264 11.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8633 11.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2213 11.5879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8819 11.7648 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 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 103121 1 0 0 0 0 131132 1 1 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 131140 1 0 0 0 0 79131 1 0 0 0 0 M END > LMISSP0504BC05 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C94H169N3O41 > 1996.12 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260840 > - > - > Active (generated by computational methods) > - $$$$