Accord 08271317192D 72 73 0 0 0 0 0 0 0 0999 V2000 23.8951 7.6130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2048 8.0104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5143 7.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2942 6.9226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4960 6.9226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5857 8.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7728 6.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7728 5.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0825 6.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5806 8.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8199 8.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3871 6.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6912 6.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9954 6.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2996 6.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6038 6.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8181 8.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1223 7.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4265 8.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7306 7.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0347 8.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3390 7.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6431 8.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9473 7.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6038 5.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9473 6.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1848 6.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4224 6.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6600 6.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8975 6.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1351 6.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8480 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0923 5.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3365 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5807 5.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8250 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0692 5.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3134 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5577 5.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8019 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0461 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2904 5.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5346 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 5.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0231 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2673 5.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5115 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7558 5.6838 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 24.5904 10.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9591 9.8980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0718 10.1517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1791 9.9178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7176 10.7170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6049 10.4635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1923 10.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1806 9.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5068 10.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2216 10.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4977 10.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6736 11.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5902 10.1878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7029 10.4415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8102 10.2076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3487 11.0068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2360 10.7533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8234 10.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7146 11.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1380 10.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8527 10.7205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1288 10.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1382 11.3147 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 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 M END > LMISSP0501AD08 > > Manbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C56H105NO13 > 999.76 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > > - > - > - > - > - > - > - > - > - > 44260163 > - > - > Active (generated by computational methods) > - $$$$