Accord 08271317192D 70 71 0 0 0 0 0 0 0 0999 V2000 22.3771 7.6121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6871 8.0093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9968 7.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7761 6.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9782 6.9220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0675 8.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2553 6.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2553 5.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5653 6.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0627 8.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3024 8.6753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8701 6.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1745 6.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4789 6.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7833 6.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0878 6.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3010 8.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6054 7.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9098 8.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2142 7.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5185 8.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8231 7.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1275 8.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4319 7.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0878 5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4319 6.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6697 6.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9076 6.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1454 6.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3832 6.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6211 6.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3323 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5768 5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8214 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0659 5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3104 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5549 5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7994 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0439 5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2884 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5329 5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7774 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0220 5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2665 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5110 5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7555 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0722 10.1390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4411 9.8963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5542 10.1499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6618 9.9161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2005 10.7150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0874 10.4615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6750 10.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6629 9.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9898 10.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7046 10.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9799 10.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1561 11.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0735 10.1860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1865 10.4396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2942 10.2058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8329 11.0047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7198 10.7513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3074 10.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1982 11.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6222 10.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3370 10.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6123 10.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6220 11.3125 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 M END > LMISSP0501AD05 > > Manbeta1-4Glcbeta-Cer(d18:1/24:0) > C54H103NO13 > 973.74 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > > - > - > - > - > - > - > - > - > - > 44260160 > - > - > Active (generated by computational methods) > - $$$$