Accord 08271317182D 100104 0 0 0 0 0 0 0 0999 V2000 21.7352 7.2606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0025 7.6826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2695 7.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1587 6.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3116 6.5279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4682 7.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5441 6.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5441 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8114 6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4014 8.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5941 8.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0732 6.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3347 6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5961 6.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8575 6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1190 6.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3804 6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6418 6.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9033 6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1647 6.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4261 6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6876 6.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9490 6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2104 6.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4719 6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 6.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9947 6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5306 7.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7921 7.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0535 7.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3150 7.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5764 7.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8378 7.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0993 7.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3607 7.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6221 7.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8836 7.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1450 7.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4064 7.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6680 7.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9294 7.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4731 9.9433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8029 9.6856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8612 9.9549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9136 9.7066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4238 10.5549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3656 10.2858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9277 10.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9766 9.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2001 9.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8973 10.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3132 10.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4385 10.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2272 9.9932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2855 10.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3379 10.0143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8481 10.8625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7899 10.5934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3520 10.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4009 9.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6244 10.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8371 11.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7375 10.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8628 11.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3216 12.1359 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3799 12.4052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4323 12.1570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9425 13.0052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8843 12.7361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4464 12.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4953 11.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7188 12.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9315 13.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8319 12.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9572 13.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7394 11.4719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7977 11.7412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8501 11.4929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3603 12.3412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3021 12.0721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8641 12.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9131 11.3164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1366 11.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 12.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2497 12.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 12.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7805 11.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1078 10.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3539 11.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1572 10.8079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2155 11.0772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2679 10.8289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7781 11.6772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7199 11.4081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2819 11.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3309 10.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7671 12.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6675 11.6562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7928 12.0040 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 83 90 1 0 0 0 0 M END > LMISSP0502AE02 > > Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C68H124N2O28 > 1416.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260197 > - > - > Active (generated by computational methods) > - $$$$