Accord 08271317182D 135142 0 0 0 0 0 0 0 0999 V2000 24.1603 7.3045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4116 7.7357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6626 7.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5930 6.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7274 6.5558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9093 7.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9432 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9432 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1945 6.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8192 8.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9943 8.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4403 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6856 6.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9309 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1763 6.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4216 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6669 6.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9122 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1576 6.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4029 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6482 6.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8936 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1389 6.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3842 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6296 6.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8749 6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1202 6.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9077 7.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1530 7.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3983 7.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6437 7.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8890 7.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1343 7.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3797 7.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6250 7.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8703 7.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1156 7.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3610 7.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6063 7.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8517 7.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0971 7.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9142 10.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2295 9.7824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2672 10.0575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2990 9.8038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7985 10.6706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7608 10.3957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3133 10.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3852 9.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5699 9.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2605 10.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7291 10.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8353 11.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5758 10.0967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6135 10.3719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6453 10.1182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1449 10.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1072 10.7100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6597 10.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7315 9.9378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9163 10.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1336 11.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0755 10.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1816 11.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6069 12.2861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6446 12.5613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6764 12.3076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1759 13.1744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1382 12.8994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6907 13.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7626 12.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9473 12.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1646 13.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1065 13.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2127 13.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9466 11.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9843 11.8828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0161 11.6291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5156 12.4959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4779 12.2209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0304 12.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1022 11.4488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2870 11.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5043 12.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4462 12.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5524 12.8298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9668 11.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3011 10.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5309 11.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8676 13.4618 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9053 13.7370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9371 13.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4367 14.3501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3990 14.0751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9515 14.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 13.3030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2081 13.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8987 14.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3673 14.3287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4734 14.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8879 13.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2222 12.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4520 13.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 13.7762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2517 14.0513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2835 13.7977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7830 14.6644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7453 14.3895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2978 14.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3696 13.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 13.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7717 15.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7136 14.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8198 14.9984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3653 13.5734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3744 12.7043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5386 12.4659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7596 11.7277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9317 12.7040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5272 12.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 13.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3840 11.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0519 11.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7675 12.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2862 10.9291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3179 10.6761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6136 9.9649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7416 10.4562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7099 10.7094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1932 10.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6404 10.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8867 9.7619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4450 10.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4143 11.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 11.2714 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 3 28 2 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 97115 1 0 0 0 0 125126 1 1 0 0 0 127126 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 125134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 130135 1 0 0 0 0 83125 1 0 0 0 0 M END > LMISSP0502AH02 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-6(Galbeta1-3)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C88H157N3O42 > 1928.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260221 > - > - > Active (generated by computational methods) > - $$$$