Accord 08271317192D 102106 0 0 0 0 0 0 0 0999 V2000 21.2037 7.7351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4777 8.1530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7516 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6234 7.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7839 7.0091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9299 8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0235 6.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0235 5.7403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2976 6.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8729 8.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0730 8.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5662 6.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8345 6.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1027 6.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3710 6.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6393 6.5800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0195 8.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2878 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5560 8.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8243 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0924 8.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3609 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6290 8.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8972 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6393 5.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8972 7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0954 6.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2937 7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4919 6.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6901 7.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8883 6.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8445 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0497 5.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2550 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 5.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6654 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8706 5.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0759 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2811 5.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4863 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6915 5.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8968 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 5.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9349 10.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2710 10.1380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3379 10.4048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3991 10.1588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9138 10.9993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8469 10.7327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4130 10.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4523 9.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6922 10.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3922 10.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7858 10.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9191 11.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7282 10.4428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7952 10.7096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8564 10.4636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3711 11.3041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3041 11.0375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8702 11.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9096 10.2888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1494 10.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3601 11.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2430 11.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3764 11.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3323 10.7553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5679 10.1572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2151 9.2531 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2500 9.3545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0141 9.9527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5564 9.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9757 10.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6463 8.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8013 9.6670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3671 10.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5789 10.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6759 7.9244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7429 8.1912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8041 7.9452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3188 8.7856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2519 8.5190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8180 8.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8573 7.7703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0971 8.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7971 8.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1908 8.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3241 9.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7259 7.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0501 7.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3032 7.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1332 8.2292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2001 8.4960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2613 8.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7761 9.0904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7091 8.8238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2752 9.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 8.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7651 9.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 9.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7813 9.4142 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 63 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 74 78 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 86 92 1 0 0 0 0 M END > LMSP0505DD03 > > Galbeta1-4GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C70H128N2O28 > 1444.87 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261598 > - > - > Active (generated by computational methods) > - $$$$