Accord 08271317192D 95 98 0 0 0 0 0 0 0 0999 V2000 23.1931 7.7232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4706 8.1390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7480 7.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6107 7.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7754 7.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9158 8.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0186 6.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0186 5.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2961 6.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8639 8.8203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0679 8.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5683 6.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8400 6.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1118 6.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3835 6.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6554 6.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0194 8.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2912 7.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5629 8.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8347 7.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1063 8.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3783 7.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6500 8.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9217 7.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6554 5.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9217 7.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1237 6.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3259 7.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5279 6.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7299 7.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9320 6.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8644 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0735 5.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2825 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4916 5.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7006 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9096 5.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1187 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3277 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5367 5.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7458 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9548 5.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1639 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3729 5.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 5.7041 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 23.9208 10.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2600 10.1145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3314 10.3801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3972 10.1353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9142 10.9717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8428 10.7064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4110 10.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4453 9.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6936 10.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3951 10.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7772 10.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9147 11.2939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7343 10.4179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8057 10.6834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8714 10.4386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3885 11.2750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3171 11.0097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8852 11.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9196 10.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1679 10.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3776 11.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2515 11.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3889 11.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3547 10.7288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5940 10.1337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2429 9.2339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2823 9.3348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0428 9.9301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5873 9.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9998 9.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6768 8.7756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8358 9.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3941 10.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6097 10.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7282 12.2072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0641 12.9084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1353 13.1733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1453 14.1391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8095 13.4380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5648 13.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9489 12.4900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6257 13.6938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5459 14.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7384 13.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1705 13.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7326 12.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8926 12.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3705 12.5952 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 70 82 1 0 0 0 0 M END > LMISSP0506AP07 > > Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C68H124N2O23 > 1336.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261938 > - > - > Active (generated by computational methods) > - $$$$