Accord 08271317182D 95 98 0 0 0 0 0 0 0 0999 V2000 23.1604 7.2595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4281 7.6811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6957 7.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5837 6.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7371 6.5272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8930 7.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9700 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9700 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2377 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8268 8.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0200 8.3878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5001 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7619 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0239 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2858 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5477 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8096 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0714 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3334 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5952 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8572 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1191 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3810 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6429 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9048 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4287 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6905 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9524 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2143 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4762 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7381 6.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9573 7.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2192 7.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4810 7.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7430 7.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0048 7.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2668 7.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5287 7.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7906 7.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0525 7.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3144 7.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5763 7.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8382 7.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1001 7.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3620 7.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8987 9.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2284 9.6854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2863 9.9548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3386 9.7065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8486 10.5550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7906 10.2858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3526 10.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4018 9.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6249 9.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3220 10.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7385 10.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8636 10.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6517 9.9931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7097 10.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7619 10.0142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2720 10.8627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2140 10.5935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7759 10.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8252 9.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0482 10.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2609 11.4146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1619 10.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2869 11.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7453 12.1364 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8033 12.4058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8555 12.1575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3656 13.0059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3076 12.7368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8695 12.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9188 11.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1418 12.3488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3546 13.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2555 12.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3805 13.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1622 11.4722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2201 11.7416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2724 11.4933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7824 12.3417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7244 12.0726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2864 12.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3356 11.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5587 11.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7714 12.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6723 12.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7974 12.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2030 11.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5303 10.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7763 11.1100 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 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 M END > LMSP0502AB05 > > GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C68H126N2O23 > 1338.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260176 > - > - > Active (generated by computational methods) > - $$$$