Accord 08271317192D 70 71 0 0 0 0 0 0 0 0999 V2000 22.4914 7.6277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7968 8.0275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1020 7.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8930 6.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0898 6.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1863 8.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3622 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3622 5.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6676 6.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1749 8.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4096 8.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9678 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2677 6.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5675 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8674 6.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1673 6.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4016 8.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7014 7.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0013 8.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3011 7.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6009 8.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9009 7.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2006 8.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5005 7.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1673 5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5005 6.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7333 6.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9662 6.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1990 6.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4318 6.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 6.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4069 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6464 5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8859 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1255 5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3650 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6046 5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8441 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0837 5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3232 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5627 5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8023 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0418 5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2814 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5209 5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7605 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1911 10.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5558 9.9268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6630 10.1821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7648 9.9468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3004 10.7509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1932 10.4958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7780 10.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7725 9.7795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0884 10.1281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8013 10.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0916 10.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2623 11.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1660 10.2185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2733 10.4738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3750 10.2384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9107 11.0426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8035 10.7875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3883 11.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3827 10.0711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6986 10.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9002 11.5656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7018 11.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8726 11.3524 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 > LMISSP0501AB07 > LacCer(d18:1/24:0) > N-(tetracosanoyl)-1-b-lactosyl-sphing-4-enine > C54H103NO13 > 973.74 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > > - > - > - > - > - > - > - > - > - > 44260144 > - > - > Active (generated by computational methods) > - $$$$