Accord 08271317182D 95 98 0 0 0 0 0 0 0 0999 V2000 23.1178 7.2548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3873 7.6754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6565 7.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5401 6.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6955 6.5242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8487 7.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9302 6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9302 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1996 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7850 8.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9801 8.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4637 6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7273 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9910 6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2546 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5183 6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7819 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0455 6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3091 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5727 6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8364 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1000 6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3637 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6273 6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8910 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1546 6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4183 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6819 6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9454 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2091 6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4727 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7364 6.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9199 7.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1835 7.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4471 7.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7108 7.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9743 7.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2380 7.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5016 7.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7653 7.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0289 7.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2926 7.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5562 7.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8198 7.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0835 7.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3470 7.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8543 9.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1856 9.6750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2458 9.9437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3002 9.6960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8115 10.5425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7513 10.2740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3142 10.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3610 9.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5882 9.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2860 10.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6969 10.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8240 10.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6173 9.9820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6775 10.2507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7320 10.0030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2432 10.8495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1830 10.5810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7460 10.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7928 9.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0199 10.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2322 11.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1287 10.8286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2557 11.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7178 12.1203 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.7780 12.3890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8324 12.1413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3436 12.9877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2834 12.7192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8464 12.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8932 11.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1204 12.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3326 13.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2291 12.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3562 13.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1430 11.4576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2032 11.7263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2576 11.4786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7689 12.3251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7087 12.0566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2716 12.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3184 11.3025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5456 11.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2435 12.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6543 12.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7814 12.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1861 11.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5127 10.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7604 11.0962 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 > LMISSP0502AS05 > > GlcNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C68H126N2O23 > 1338.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260312 > - > - > Active (generated by computational methods) > - $$$$