Accord 08271317192D 116121 0 0 0 0 0 0 0 0999 V2000 23.3147 7.7397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5875 8.1584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8600 7.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7352 7.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8943 7.0123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0423 8.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1324 6.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1324 5.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4051 7.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9834 8.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1820 8.8603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6724 6.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9393 7.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2062 6.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4731 7.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7401 6.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1266 8.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3934 7.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6603 8.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9272 7.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1940 8.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4611 7.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7279 8.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 7.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7401 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 7.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1915 6.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3882 7.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5849 6.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7816 7.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9784 6.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9438 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1475 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3513 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5550 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7588 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9625 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1663 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3700 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5738 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7775 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9813 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1850 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3888 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5925 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7963 5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0474 10.4029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3822 10.1471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4474 10.4144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5068 10.1680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0206 11.0100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9555 10.7429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5207 10.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5620 9.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7986 10.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4980 10.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8961 10.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0278 11.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8329 10.4525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8981 10.7198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9575 10.4733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4713 11.3153 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4061 11.0482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9714 11.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0127 10.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2493 10.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4604 11.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3468 11.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4785 11.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4306 10.7655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6648 10.1663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3114 9.2606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3444 9.3621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1100 9.9615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6514 9.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0734 10.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7415 8.7992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8949 9.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4637 10.8672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6740 10.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7693 7.9293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8345 8.1966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8940 7.9502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4078 8.7922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3426 8.5251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9079 8.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9491 7.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1857 8.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3968 9.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2832 8.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4149 9.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8175 7.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1423 7.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3941 7.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2136 7.2702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2787 7.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3382 7.2911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8520 8.1331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7868 7.8660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3521 8.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3934 7.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6300 7.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8411 8.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7275 8.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8592 8.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8817 7.1159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4595 6.3847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6428 6.5987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6264 6.3666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2531 7.0979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7106 6.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0745 6.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2156 6.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6264 5.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0699 6.8840 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 2 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 67 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 89 96 1 0 0 0 0 107108 1 1 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 107116 1 0 0 0 0 102107 1 0 0 0 0 M END > LMSP0505DK07 > > Fucalpha1-2Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C80H144N2O32 > 1644.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261642 > - > - > Active (generated by computational methods) > - $$$$