Accord 08271317182D 107111 0 0 0 0 0 0 0 0999 V2000 21.8258 9.0290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0866 9.4546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3470 9.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2533 8.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3985 8.2896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5656 9.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6239 7.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6239 6.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8846 8.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4890 10.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6744 10.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1398 7.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3945 8.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6492 7.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9040 8.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1588 7.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4135 8.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6682 7.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9230 8.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1777 7.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4325 8.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6872 7.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6968 6.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4429 6.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4524 5.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7093 5.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9620 5.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2189 5.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4714 5.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7284 5.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9809 5.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2380 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 5.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7474 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6014 9.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8562 9.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1109 9.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3656 9.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6203 9.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8752 9.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1299 9.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3846 9.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6394 9.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8942 9.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1489 9.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4035 9.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6584 9.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9131 9.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5712 11.7385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8945 11.4782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9434 11.7501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9865 11.4995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4919 12.3561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4429 12.0843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0007 12.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0600 11.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2660 11.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9602 12.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3999 12.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5166 12.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2835 11.7889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3324 12.0608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3755 11.8101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8809 12.6667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8320 12.3950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3897 12.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4490 11.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6550 12.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8698 13.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7890 12.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9056 12.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1931 12.9637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2420 13.2356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2851 12.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7905 13.8415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7415 13.5698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2993 13.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3586 12.8067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5646 13.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7794 14.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6985 13.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8152 14.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2247 12.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5552 12.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7939 12.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5755 12.2931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6245 12.5650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6676 12.3143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1730 13.1709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1240 12.8992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6818 13.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7411 12.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9470 12.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1618 13.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0810 13.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1976 13.5010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2205 12.1361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7910 11.3922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9601 11.6099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9260 11.3738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5636 12.1178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0117 11.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 11.5599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5255 11.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9260 10.8063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3946 11.9002 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 70 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 98107 1 0 0 0 0 93 98 1 0 0 0 0 M END > LMISSP0503AI06 > > Fucalpha1-2Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C76H140N2O27 > 1512.96 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260553 > - > - > Active (generated by computational methods) > - $$$$