Accord 08271317192D 70 71 0 0 0 0 0 0 0 0999 V2000 22.4119 7.6169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7204 8.0149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0288 7.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8116 6.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0121 6.9253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1036 8.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2878 6.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2878 5.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5964 6.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0968 8.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3350 8.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8998 6.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2028 6.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5058 6.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8089 6.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1120 6.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3315 8.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6346 7.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9376 8.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2406 7.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5436 8.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8468 7.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1497 8.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4527 7.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1120 5.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4527 6.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6890 6.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9254 6.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1617 6.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3980 6.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6344 6.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3550 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5980 5.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8410 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0840 5.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3270 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5700 5.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8130 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0560 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2990 5.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5420 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7850 5.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2710 5.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 5.6845 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 23.1083 10.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4760 9.9056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5872 10.1597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6931 9.9254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2309 10.7259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1196 10.4720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7063 10.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6962 9.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0197 10.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7340 10.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0139 10.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1884 11.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1016 10.1959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2129 10.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3187 10.2157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8565 11.0162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7452 10.7623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3320 11.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2246 11.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6454 10.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3597 10.7294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6395 10.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6473 11.3246 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 M END > LMISSP0501AD07 > > Manbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C54H101NO13 > 971.73 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > > - > - > - > - > - > - > - > - > - > 44260162 > - > - > Active (generated by computational methods) > - $$$$