Accord 08271317192D 97100 0 0 0 0 0 0 0 0999 V2000 24.2948 7.6615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5899 8.0673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8847 7.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7023 6.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8873 6.9565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1488 6.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1488 5.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4438 6.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9736 8.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1969 8.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7338 6.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0231 6.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3126 6.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6020 6.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8915 6.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1738 8.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4633 7.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7527 8.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0422 7.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3315 8.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6212 7.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9105 8.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2000 7.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8915 5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2000 6.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4214 6.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6429 6.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8643 6.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0857 6.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3072 6.5142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1198 5.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3480 5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5763 5.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8045 5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0328 5.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2610 5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4893 5.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7175 5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9458 5.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1740 5.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4023 5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6305 5.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8588 5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0870 5.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3153 5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5435 5.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7718 5.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9945 10.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3272 9.9785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3893 10.2466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4457 9.9995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9579 10.8442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8958 10.5762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4596 10.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5043 9.8236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7351 10.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4335 10.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8395 10.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9684 11.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7662 10.2848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8282 10.5530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8846 10.3058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3968 11.1506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3347 10.8826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8986 11.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9433 10.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1740 10.4963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3858 11.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2785 11.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4073 11.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3527 10.5989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5844 9.9978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2297 9.0891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2596 9.1909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0277 9.7923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5676 9.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9942 9.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 8.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8086 9.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3826 10.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5902 10.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7400 12.0921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0692 12.8003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1311 13.0678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1412 14.0433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8121 13.3352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5649 13.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9529 12.3777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6165 13.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5358 14.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7502 13.0675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1767 13.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7344 12.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8960 11.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3687 12.4839 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 2 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 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 69 73 1 0 0 0 0 84 85 1 1 0 0 0 86 85 1 1 0 0 0 87 86 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 84 93 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 95 96 1 0 0 0 0 95 97 2 0 0 0 0 72 84 1 0 0 0 0 6 50 1 0 0 0 0 M END > LMISSP0506AP08 > > Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C70H128N2O23 > 1364.89 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261939 > - > - > Active (generated by computational methods) > - $$$$