Accord 08271317192D 95 98 0 0 0 0 0 0 0 0999 V2000 23.1188 7.7131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3993 8.1272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6796 7.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5348 6.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7028 6.9935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8386 8.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9491 6.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9491 5.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2296 6.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7910 8.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9982 8.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5047 6.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7794 6.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0542 6.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3289 6.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6037 6.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9540 8.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2287 7.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5035 8.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7782 7.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0528 8.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3278 7.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6024 8.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8771 7.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6037 5.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8771 7.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0824 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2878 7.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4931 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 7.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9037 6.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8160 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0283 5.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2405 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4528 5.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6651 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8773 5.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0896 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3019 5.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5141 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7264 5.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9387 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1509 5.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3632 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5755 5.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7877 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8435 10.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1855 10.0947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2607 10.3591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3302 10.1153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8492 10.9483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7740 10.6841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3440 10.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3741 9.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6295 10.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3322 10.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7046 10.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8456 11.2692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6742 10.3968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7493 10.6612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8189 10.4174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3379 11.2504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2627 10.9862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8326 11.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8627 10.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1182 10.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3270 11.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1933 11.2299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3343 11.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3083 10.7065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5507 10.1137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2010 9.2177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2445 9.3181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0018 9.9110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5482 9.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9549 9.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6373 8.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7997 9.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3517 10.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5704 10.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6755 7.9006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7507 8.1651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8202 7.9213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3392 8.7543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2640 8.4901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8340 8.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8641 7.7480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1195 8.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3284 9.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1946 8.7337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3356 9.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7339 7.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0552 7.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3150 7.5450 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 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 67 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 > LMISSP0505DA05 > > GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C68H126N2O23 > 1338.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261576 > - > - > Active (generated by computational methods) > - $$$$