Accord 08271317192D 90 93 0 0 0 0 0 0 0 0999 V2000 21.3499 7.6842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6388 8.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9275 7.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7610 6.9730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9387 6.9730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0612 8.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1938 6.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1938 5.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4827 6.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0259 8.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2424 8.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7664 6.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0496 6.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3328 6.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6160 6.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8993 6.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2104 8.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4936 7.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7768 8.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0600 7.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3431 8.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6266 7.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9097 8.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1929 7.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8993 5.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1929 6.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4075 6.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6221 6.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8367 6.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0513 6.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2660 6.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1208 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3423 5.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5637 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7852 5.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0067 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2282 5.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4497 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6711 5.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8926 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1141 5.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3356 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5570 5.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7785 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0661 10.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4158 10.0380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5018 10.2993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5822 10.0584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1068 10.8817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0208 10.6205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5958 10.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6139 9.8871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8897 10.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5959 10.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9405 10.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0916 11.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9455 10.3366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0315 10.5979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1119 10.3570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6366 11.1802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5506 10.9191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1255 11.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1436 10.1857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4194 10.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6259 11.7157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4703 11.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6213 11.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6190 10.6426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8703 10.0568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5247 9.1712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5793 9.2705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3278 9.8565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8795 9.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2697 9.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9675 8.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1398 9.5766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6736 10.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9015 10.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1671 8.8201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4184 8.2343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0728 7.3487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1274 7.4480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8759 8.0340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4275 7.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8178 8.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5156 6.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6878 7.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2217 8.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4496 8.4311 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 65 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 76 80 1 0 0 0 0 M END > LMISSP0505DM04 > > Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C64H119NO23 > 1269.82 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261655 > - > - > Active (generated by computational methods) > - $$$$