Accord 08271317192D 95 98 0 0 0 0 0 0 0 0999 V2000 22.9740 7.6934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2601 8.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5463 7.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3866 6.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5612 6.9795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6880 8.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8136 6.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8136 5.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0998 6.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6487 8.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8622 8.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3807 6.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6613 6.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9418 6.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2223 6.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5029 6.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8264 8.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1071 7.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3875 8.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6680 7.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9485 8.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2292 7.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5096 8.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7902 7.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5029 5.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7902 6.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0017 6.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2135 6.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4252 6.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6368 6.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8486 6.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7216 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9401 5.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1586 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3772 5.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5958 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8143 5.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0329 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2515 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4701 5.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6886 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9072 5.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1257 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3443 5.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5628 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7815 5.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6929 10.3070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0402 10.0560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1226 10.3183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1997 10.0764 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7225 10.9027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6399 10.6407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.2132 10.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2352 9.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5045 10.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2095 10.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5631 10.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7109 11.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5568 10.3557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6394 10.6180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7163 10.3761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.2392 11.2025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1566 10.9404 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.7300 11.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7518 10.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0213 10.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2285 11.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0797 11.1821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2276 11.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0672 9.7087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1498 9.9711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2267 9.7293 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7497 10.5556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6670 10.2934 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2404 10.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2623 9.5574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5317 9.9156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9528 10.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5901 10.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7380 10.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1332 9.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4519 9.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7176 9.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1974 9.5836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2801 9.8459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3570 9.6041 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8798 10.4304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7973 10.1683 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3707 10.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0166 9.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6619 9.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8692 10.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7204 10.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8683 10.7487 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 2 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 M END > LMISSP0505AA07 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C68H124N2O23 > 1336.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 70699271 > - > - > Active (generated by computational methods) > - $$$$