Accord 08271317192D 91 94 0 0 0 0 0 0 0 0999 V2000 19.8520 7.6940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1381 8.1049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4239 7.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2647 6.9799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4392 6.9799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5662 8.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6913 6.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6913 5.7322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9774 6.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5268 8.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7401 8.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2581 6.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5385 6.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8188 6.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0992 6.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3796 6.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7039 8.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9843 7.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2646 8.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5450 7.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8252 8.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1058 7.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3860 8.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6664 7.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3796 5.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6664 6.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8779 6.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0894 6.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3008 6.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5122 6.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7238 6.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5980 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8164 5.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0347 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2531 5.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4715 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6899 5.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1266 5.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5634 5.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7816 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5711 10.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9182 10.0572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0006 10.3196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0773 10.0776 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6000 10.9042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5176 10.6421 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.0909 10.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1131 9.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3821 10.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0870 10.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4410 10.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5887 11.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4341 10.3569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5163 10.6193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5932 10.3775 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1159 11.2039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0335 10.9417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6067 11.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6289 10.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8978 10.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1050 11.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9569 11.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1045 11.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9436 9.7099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0259 9.9723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1027 9.7304 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6254 10.5569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5430 10.2948 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1163 10.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1383 9.5584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4074 9.9168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6574 10.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4664 10.5365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6140 10.8753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0093 9.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3281 9.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5936 9.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8335 9.7557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9159 10.0180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9926 9.7761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5153 10.6027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4329 10.3405 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0062 10.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7550 9.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2973 9.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5046 11.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3563 10.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5040 10.9212 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 M END > LMISSP0505AA03 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C64H118N2O23 > 1282.81 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 70699267 > - > - > Active (generated by computational methods) > - $$$$