Accord 08271317182D 86 88 0 0 0 0 0 0 0 0999 V2000 21.5458 8.9661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8188 9.3846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0915 8.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9662 8.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1255 8.2390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2732 9.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3638 7.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3638 6.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6369 8.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2146 10.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4135 10.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9045 7.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1715 8.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4387 7.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7059 8.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9731 7.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2401 8.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5073 7.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7745 8.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0416 7.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3088 8.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5759 7.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5854 6.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3190 6.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3284 5.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5976 5.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8628 5.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1320 5.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 5.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6664 5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9313 5.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2007 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4656 5.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7350 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3584 9.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6256 8.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8927 9.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1598 8.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4269 9.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6942 8.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9613 9.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2284 8.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4956 9.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7628 8.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0299 9.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2970 8.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5642 9.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8313 8.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2787 11.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6133 11.3745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6780 11.6419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7371 11.3954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2507 12.2378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1859 11.9706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7510 12.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7927 11.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0285 11.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7279 11.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1270 12.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2583 12.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0624 11.6800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1272 11.9474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1862 11.7009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6998 12.5433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6350 12.2760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2001 12.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2418 11.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4777 11.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6889 13.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5761 12.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7074 12.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5051 11.0206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5698 11.2880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6289 11.0415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1425 11.8838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0777 11.6166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6428 11.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6845 10.8662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9203 11.2314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6197 11.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0188 11.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1501 12.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5529 10.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8778 10.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1292 10.6609 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 16 17 1 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 24 25 1 0 0 0 0 25 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 31 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 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 M END > LMISSP0504AA06 > > GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C64H120N2O18 > 1204.85 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260617 > - > - > Active (generated by computational methods) > - $$$$