Accord 08271317182D 121127 0 0 0 0 0 0 0 0999 V2000 22.5476 7.3150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7951 7.7484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0423 7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9825 6.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1125 6.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3004 7.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3242 6.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3242 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5718 6.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2047 8.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3756 8.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8137 6.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0551 6.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2966 6.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5381 6.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7796 6.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0210 6.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 6.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5040 6.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7455 6.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9870 6.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2284 6.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4699 6.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7114 6.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9529 6.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2834 7.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5249 7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7664 7.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0079 7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2494 7.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4908 7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7323 7.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9738 7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2153 7.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4567 7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6982 7.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9397 7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1813 7.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4228 7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3054 10.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6171 9.8055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6499 10.0821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6768 9.8271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1738 10.6983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1410 10.4220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6912 10.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7685 9.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9440 10.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6330 10.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1142 10.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2158 11.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9448 10.1215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9776 10.3980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0045 10.1431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5014 11.0142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4686 10.7379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0189 10.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0962 9.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2717 10.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4901 11.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4419 10.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5435 11.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2658 9.4395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2986 9.7161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3255 9.4611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8224 10.3323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7896 10.0559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3398 10.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4172 9.2798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5927 9.6575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2817 10.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7629 10.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8645 10.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2810 9.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6171 8.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8429 9.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5868 8.7575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6196 9.0341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6464 8.7791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1434 9.6503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1106 9.3740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6608 9.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7382 8.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9136 8.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1321 10.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0839 9.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1855 9.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0666 9.0814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2743 8.4615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9086 7.5243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9081 7.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7002 8.2495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2258 8.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 8.3010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3190 7.0469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0662 9.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2491 8.6697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 8.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1810 8.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5312 7.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2088 8.5979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2179 7.7243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3778 7.4847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5948 6.7427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7679 7.7240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3613 7.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6788 8.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2224 6.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8887 6.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6079 7.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7523 10.5495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9911 10.1207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3765 10.7415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3491 11.0700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2924 11.3913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7327 11.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6258 9.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7712 10.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0553 10.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9072 10.7706 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 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 103104 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 102111 1 0 0 0 0 83102 1 0 0 0 0 112113 1 1 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 112121 1 0 0 0 0 71112 1 0 0 0 0 M END > LMISSP0504AH01 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O36 > 1721.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260668 > - > - > Active (generated by computational methods) > - $$$$