Accord 08271317182D 96 99 0 0 0 0 0 0 0 0999 V2000 22.0136 7.2991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2669 7.7291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5199 7.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4452 6.5525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5819 6.5525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7607 7.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7997 6.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7997 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0530 6.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6735 8.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8507 8.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3007 6.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5480 6.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7954 6.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0427 6.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2901 6.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5373 6.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7847 6.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0320 6.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2794 6.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5267 6.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7740 6.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0213 6.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2686 6.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5160 6.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7633 6.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0107 6.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 6.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5053 6.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7526 6.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7670 7.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0143 7.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2616 7.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5090 7.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7562 7.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0036 7.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2509 7.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4983 7.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7456 7.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9930 7.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2402 7.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4875 7.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7349 7.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9822 7.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7660 10.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0828 9.7718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1226 10.0464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1565 9.7933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6571 10.6581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6173 10.3838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1708 10.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2403 9.6133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4290 9.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1203 10.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5835 10.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6916 10.9913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4370 10.0855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4768 10.3600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5107 10.1069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0113 10.9718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9715 10.6974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5250 10.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5945 9.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7832 10.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0001 11.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9377 10.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0458 11.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7846 9.4084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8244 9.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8583 9.4299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3589 10.2948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3191 10.0204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8726 10.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9421 9.2499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1308 9.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8221 9.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2853 10.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3934 10.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8070 9.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1406 8.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3720 9.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3168 11.2716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6301 11.9966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6697 12.2706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6801 13.2693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3669 12.5443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1138 12.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5110 11.5640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1427 12.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8872 13.6416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3273 12.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7402 13.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2873 11.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4528 11.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9129 11.6728 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 3 32 2 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 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 94 95 1 0 0 0 0 94 96 2 0 0 0 0 66 83 1 0 0 0 0 M END > LMISSP0503AN04 > > GlcNAcbeta1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C68H125N3O23 > 1351.87 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260591 > - > - > Active (generated by computational methods) > - $$$$