Accord 08271317182D 95 98 0 0 0 0 0 0 0 0999 V2000 20.2208 8.9931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4870 9.4155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7529 8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6450 8.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7966 8.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9549 9.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0278 7.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0278 6.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2940 8.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8865 10.1075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0779 10.1238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5548 7.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8150 8.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0754 7.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3357 8.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5961 7.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8563 8.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1167 7.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3770 8.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6372 7.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8976 8.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1579 7.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1674 6.9730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9079 6.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9174 5.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1798 5.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4381 5.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7005 5.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9587 5.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2212 5.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4793 5.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7419 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0130 9.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2733 8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5335 9.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7939 8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0541 9.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3146 8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5748 9.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8352 8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0955 9.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3559 8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6161 9.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8764 8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1368 9.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3971 8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9605 11.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2889 11.4240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3449 11.6939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3952 11.4451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9043 12.2953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8482 12.0256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4092 12.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4606 11.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6800 11.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3765 11.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7980 12.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9212 12.6228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7049 11.7323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7609 12.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8112 11.7534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3203 12.6036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2642 12.3339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8253 12.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8767 11.5765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0960 11.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3092 13.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2140 12.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3373 12.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6376 12.8983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6936 13.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7439 12.9194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2530 13.7696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1969 13.4999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7579 13.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8093 12.7425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0287 13.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2419 14.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1467 13.7487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2700 14.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6765 12.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0044 12.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2489 12.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0471 12.2328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1031 12.5027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1534 12.2538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6625 13.1041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6064 12.8344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1674 13.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2189 12.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4382 12.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6514 13.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5562 13.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6795 13.4316 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 68 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 M END > LMISSP0503AB05 > > Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C68H126N2O23 > 1338.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260496 > - > - > Active (generated by computational methods) > - $$$$