Accord 08271317192D 85 88 0 0 0 0 0 0 0 0999 V2000 18.3605 7.7072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6428 8.1204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9248 7.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7755 6.9893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9455 6.9893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0786 8.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1936 6.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1936 5.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4758 6.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0335 8.7973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2426 8.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7527 6.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0291 6.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3056 6.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5821 6.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8586 6.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2009 8.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4774 7.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7538 8.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0303 7.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3066 8.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5833 7.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8596 8.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1361 7.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8586 5.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1361 6.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3433 6.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5505 6.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7577 6.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9649 6.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1722 6.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0727 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2869 5.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5010 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7152 5.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9293 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1434 5.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3576 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5717 5.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7859 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0836 10.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4271 10.0832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5045 10.3470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5762 10.1038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0964 10.9348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0190 10.6712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5900 10.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6176 9.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8772 10.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5806 10.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9474 10.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0904 11.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9241 10.3845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0015 10.6483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0732 10.4051 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5934 11.2361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5160 10.9725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0870 11.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1146 10.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3742 10.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5826 11.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4444 11.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 11.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5662 10.6935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8105 10.1021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4616 9.2082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5073 9.3084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2629 9.8999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8103 9.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2137 9.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8992 8.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0636 9.6175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6119 10.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8325 10.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6096 10.2322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6183 9.3990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8170 9.1704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0701 8.4627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2351 9.3987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8473 9.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0580 9.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6687 8.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3504 7.9888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0365 9.6274 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 61 65 1 0 0 0 0 76 77 1 1 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 76 85 1 0 0 0 0 60 76 1 0 0 0 0 M END > LMSP0505DI02 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C60H111NO22 > 1197.76 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261621 > - > - > Active (generated by computational methods) > - $$$$