Accord 08271317192D 62 63 0 0 0 0 0 0 0 0999 V2000 16.5017 7.6473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8014 8.0504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1009 7.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9066 6.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0968 6.9469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2023 8.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3632 6.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3632 5.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6629 6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1826 8.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4110 8.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9574 6.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2514 6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5455 6.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8396 6.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1338 6.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3947 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6888 7.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9828 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2769 7.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5709 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8652 7.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1591 8.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4532 7.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1338 5.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4532 6.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6797 6.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9063 6.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1327 6.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3592 6.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5858 6.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3671 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6003 5.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8336 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0669 5.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3002 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5334 5.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2071 10.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5667 9.9654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6665 10.2228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7608 9.9855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2927 10.7963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1928 10.5391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7743 10.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7769 9.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0789 10.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7895 10.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0986 10.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 11.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1490 10.2594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2488 10.5168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3432 10.2795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8750 11.0903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7752 10.8331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3566 11.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3592 10.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6612 10.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8645 11.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6809 11.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8448 11.4027 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 > LMISSP0501AB03 > LacCer(d18:1/16:0) > N-(hexadecanoyl)-1-b-lactosyl-sphing-4-enine > C46H87NO13 > 861.62 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > > - > - > - > - > - > - > - > - > - > 44260140 > - > - > Active (generated by computational methods) > - $$$$