Accord 08271317192D 62 63 0 0 0 0 0 0 0 0999 V2000 16.4164 7.6295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7213 8.0296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0260 7.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8183 6.9343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0145 6.9343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1118 8.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2863 6.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2863 5.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5912 6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0997 8.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3338 8.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8909 6.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1902 6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4896 6.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7889 6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0883 6.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3250 8.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6243 7.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9236 8.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2229 7.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5222 8.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8217 7.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1209 8.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4202 7.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0883 5.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4202 6.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6524 6.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8847 6.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1169 6.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3491 6.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5815 6.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3272 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5662 5.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8052 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 5.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2831 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5221 5.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1166 10.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4809 9.9304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5874 10.1859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6885 9.9503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2238 10.7551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1172 10.4998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7018 10.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6969 9.7829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0115 10.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7243 10.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0163 10.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1864 11.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0885 10.2222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1951 10.4777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2961 10.2422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8314 11.0470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7249 10.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3094 11.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2068 11.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 10.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3319 10.7586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6239 11.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6264 11.3570 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 M END > LMISSP0501AD01 > > Manbeta1-4Glcbeta-Cer(d18:1/16:0) > C46H87NO13 > 861.62 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > > - > - > - > - > - > - > - > - > - > 44260156 > - > - > Active (generated by computational methods) > - $$$$