Accord 08271317182D 122128 0 0 0 0 0 0 0 0999 V2000 23.4787 7.3289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7212 7.7651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9633 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9166 6.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0408 6.5713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2366 7.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2472 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2472 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4897 6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1336 8.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2989 8.4961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7265 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9629 6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4357 6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6720 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9084 6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1448 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3812 6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6176 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8540 6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0904 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3268 6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5632 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7996 6.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1994 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4358 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6722 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9086 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1450 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3814 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6178 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8542 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0905 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3269 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5633 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7997 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0362 7.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2726 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2416 10.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5488 9.8361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5751 10.1145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5954 9.8578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0890 10.7348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0627 10.4566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6099 10.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6944 9.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8577 10.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5446 10.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0425 10.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1380 11.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8518 10.1541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8781 10.4326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8984 10.1759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3920 11.0529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3657 10.7747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9129 11.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9975 9.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1607 10.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3806 11.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3455 11.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4411 11.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8477 12.3695 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8740 12.6479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8943 12.3912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3879 13.2683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3616 12.9901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9088 13.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9934 12.2088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1566 12.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3765 13.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3414 13.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4370 13.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5595 11.5967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5858 11.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6061 11.6184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0997 12.4955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0734 12.2173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6206 12.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7052 11.4360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8684 11.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0883 12.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0532 12.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 12.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5681 11.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9064 10.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1270 11.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4559 13.4729 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4823 13.7513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5026 13.4947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9962 14.3717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9699 14.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5171 14.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6016 13.3122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7649 13.6924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4518 14.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9496 14.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0452 14.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4646 13.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8029 12.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0235 13.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1996 13.0660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4975 13.5955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8744 12.2488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0110 11.3801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3088 11.9096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3900 11.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1470 13.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2616 11.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5616 11.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6339 12.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7590 13.7910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0626 14.5262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0887 14.8040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0993 15.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7957 15.0816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5391 15.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9419 14.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 15.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 16.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7697 14.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1742 15.5735 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 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 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 103102 1 1 0 0 0 102104 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 103111 1 0 0 0 0 95102 1 0 0 0 0 112113 1 1 0 0 0 114113 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 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 96112 1 0 0 0 0 70 74 1 0 0 0 0 M END > LMISSP0502BI01 > > Fucalpha2-3(Galbeta1-4)GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O37 > 1737.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260436 > - > - > Active (generated by computational methods) > - $$$$