Accord 08271317182D 95 98 0 0 0 0 0 0 0 0999 V2000 20.0738 8.9569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3471 9.3753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6202 8.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4940 8.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6537 8.2302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8009 9.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8924 7.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8924 6.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1657 8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7428 10.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9420 10.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4336 7.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7010 8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9685 7.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2359 8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5034 7.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7708 8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0383 7.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3058 8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5732 7.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8407 8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1081 7.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1176 6.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8509 6.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8603 5.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1298 5.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3953 5.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6648 5.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9302 5.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1998 5.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4650 5.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8873 9.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1548 8.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4222 9.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6897 8.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9571 9.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2247 8.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4921 9.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7595 8.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0270 9.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2945 8.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5619 9.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8293 8.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0969 9.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3643 8.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8064 11.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1413 11.3644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2064 11.6317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2659 11.3852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7797 12.2273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7145 11.9602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2798 12.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3210 11.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5576 11.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2571 11.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6552 12.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7869 12.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5919 11.6697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6571 11.9370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7165 11.6906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2303 12.5326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1651 12.2655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7304 12.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7717 11.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0082 11.8804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2193 13.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1058 12.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2375 12.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0361 11.0106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1012 11.2779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1607 11.0315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6745 11.8735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6093 11.6064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1746 11.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2158 10.8563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4524 11.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1518 11.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5500 11.8527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6816 12.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0842 10.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4090 10.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6608 10.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4802 10.3515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5454 10.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6048 10.3723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1186 11.2143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0535 10.9472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6187 11.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 10.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8966 10.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1077 11.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9941 11.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1258 11.5387 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 3 34 2 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 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 78 85 1 0 0 0 0 M END > LMISSP0504AB05 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C68H126N2O23 > 1338.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260624 > - > - > Active (generated by computational methods) > - $$$$