Accord 08271317192D 95 98 0 0 0 0 0 0 0 0999 V2000 22.9100 7.6845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1988 8.0940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4875 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3213 6.9733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4990 6.9733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6216 8.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7539 6.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7539 5.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0427 6.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5860 8.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8024 8.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3262 6.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6092 6.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8922 6.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1755 6.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4586 6.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7703 8.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0533 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3363 8.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6196 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9025 8.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1857 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4688 8.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7518 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4586 5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7518 6.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9663 6.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1808 6.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3952 6.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6097 6.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8242 6.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6799 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9013 5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1226 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3439 5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5653 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7866 5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0080 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2292 5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4506 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6719 5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8933 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1147 5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3360 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5572 5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7787 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6265 10.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9760 10.0388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0620 10.3003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1422 10.0592 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.6667 10.8827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5808 10.6215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.1558 10.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1740 9.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4496 10.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1555 10.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5007 10.8623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6515 11.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5051 10.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5910 10.5989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6712 10.3578 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.1958 11.1813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1100 10.9201 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6848 11.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7030 10.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9786 10.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1851 11.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0298 11.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1807 11.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0279 9.6928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1138 9.9543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1941 9.7133 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7186 10.5367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6327 10.2754 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2076 10.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2259 9.5419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5014 9.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8564 10.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5526 10.5163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7036 10.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0972 9.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4149 9.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6831 9.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0357 9.5340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1215 9.7954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2018 9.5544 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7263 10.3779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6405 10.1168 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2154 10.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8590 9.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5091 9.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7156 10.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5604 10.3576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7113 10.6950 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 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 M END > LMISSP0505AA05 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C68H126N2O23 > 1338.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 70699269 > - > - > Active (generated by computational methods) > - $$$$