Accord 08271317182D 108113 0 0 0 0 0 0 0 0999 V2000 22.3308 7.2753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5927 7.7004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8543 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7574 6.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9040 6.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0691 7.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1309 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1309 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3928 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9945 8.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1813 8.4126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6493 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9053 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1614 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4174 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6734 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9295 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1855 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4415 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6975 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9536 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2096 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4656 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7217 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9777 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1101 7.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3661 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6221 7.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8782 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1342 7.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3902 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6463 7.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9023 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1583 7.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4144 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6704 7.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9264 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1826 7.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4386 7.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0740 9.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3990 9.7181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4503 9.9893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4959 9.7392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0025 10.5937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9511 10.3227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5100 10.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5666 9.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7771 9.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4721 10.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9057 10.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0246 10.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7971 10.0279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8485 10.2992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8940 10.0491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4006 10.9036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3493 10.6325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9081 10.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9648 9.8713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1753 10.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3895 11.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3038 10.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4227 11.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1887 9.3591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2401 9.6303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2856 9.3802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7922 10.2347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7409 9.9637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2997 10.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3564 9.2025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5668 9.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2618 9.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6954 10.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8143 10.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2228 8.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5524 8.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7931 8.9942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5803 8.6902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6316 8.9614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6772 8.7114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1838 9.5658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1324 9.2948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6913 9.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7479 8.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9584 8.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1727 10.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0870 9.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2059 9.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1277 9.0078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3506 8.3998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9919 7.4807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0106 7.5837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7875 8.1919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3221 7.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7651 8.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4135 7.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.9014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1464 9.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 8.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2287 8.5336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2376 7.6768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4137 7.4418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6458 6.7140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8154 7.6765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4167 7.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6897 8.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2613 6.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9339 6.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6394 7.9116 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 84 88 1 0 0 0 0 99100 1 1 0 0 0 100101 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 99108 1 0 0 0 0 83 99 1 0 0 0 0 M END > LMISSP0504AE01 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C72H130N2O32 > 1534.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260644 > - > - > Active (generated by computational methods) > - $$$$