Accord 08271317192D 100104 0 0 0 0 0 0 0 0999 V2000 18.6047 7.7521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8738 8.1729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1427 7.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0273 7.0211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1821 7.0211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3359 8.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4164 6.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4164 5.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6855 7.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2717 8.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4663 8.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9492 6.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2124 7.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4756 6.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7389 7.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0022 6.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4056 8.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6688 7.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9321 8.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1953 7.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4584 8.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7219 7.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9850 8.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2482 7.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0022 5.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2482 7.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4409 6.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6337 7.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8264 6.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 7.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2118 6.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2020 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4018 5.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6015 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8013 5.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0011 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2009 5.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4007 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6004 5.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8002 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3409 10.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6725 10.1715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7330 10.4401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7878 10.1925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2991 11.0387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2386 10.7703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8017 11.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8482 10.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0760 10.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7739 10.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1840 11.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3113 11.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1055 10.4784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1660 10.7470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2208 10.4994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7321 11.3456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6716 11.0772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2347 11.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2812 10.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5090 10.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7211 11.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6169 11.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7443 11.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6862 10.7930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9167 10.1909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5614 9.2806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5897 9.3826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3590 9.9850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8982 9.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3272 10.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9887 8.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1379 9.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7145 10.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9208 10.3931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0758 12.2886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4040 12.9981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4643 13.2661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4745 14.2432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1465 13.5339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8988 13.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2875 12.5748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9487 13.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8680 14.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0861 13.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5116 14.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0686 12.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2305 12.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7023 12.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1995 13.9924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5277 14.7019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5880 14.9699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5982 15.9470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2701 15.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0225 15.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4111 14.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0724 15.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8688 16.4263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2098 14.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6353 15.7123 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 78 77 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 76 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 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 64 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 84 90 1 0 0 0 0 M END > LMISSP0506AN02 > > Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C68H124N2O28 > 1416.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261917 > - > - > Active (generated by computational methods) > - $$$$