Accord 08271317192D 120125 0 0 0 0 0 0 0 0999 V2000 24.2910 7.6482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5872 8.0533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8832 7.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6980 6.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8841 6.9443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1469 6.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1469 5.7142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4431 6.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9704 8.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1949 8.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7340 6.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0245 6.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3151 6.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6056 6.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8963 6.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1735 8.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4640 7.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7546 8.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0451 7.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3356 8.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6263 7.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9168 8.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2073 7.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8963 5.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2073 6.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4300 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6527 6.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8753 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0979 6.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3206 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1257 5.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3552 5.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5846 5.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8141 5.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0435 5.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2730 5.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5024 5.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7319 5.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9613 5.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1908 5.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4202 5.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6497 5.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8791 5.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1086 5.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3380 5.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5675 5.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3563 9.9779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4517 10.2365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5415 9.9981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0710 10.8129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9756 10.5544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5550 10.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5626 9.8285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8561 10.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5653 10.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8859 10.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0456 11.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9216 10.2734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0169 10.5320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1067 10.2936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6362 11.1084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5409 10.8499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1202 11.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1278 10.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4214 10.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6257 11.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4512 11.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6109 11.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4806 9.6355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5759 9.8942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6658 9.6557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1953 10.4705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0999 10.2121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6792 10.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6868 9.4862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9804 9.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6895 10.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0102 10.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1699 10.7845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5595 9.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8738 9.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1497 9.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0458 9.9310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1412 10.1897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2310 9.9512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7605 10.7660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6651 10.5076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2445 10.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2521 9.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5456 10.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7499 11.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5754 10.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7352 11.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7534 10.2339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0123 9.6541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6703 8.7776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7346 8.8759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4754 9.4559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0316 9.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4077 9.5040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1188 8.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6735 8.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8176 10.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0534 9.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4934 9.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8603 9.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2526 8.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1251 8.3062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2149 8.0678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7445 8.8826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6491 8.6241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2284 8.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2360 7.8982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5296 8.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7339 9.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5594 8.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7191 9.1965 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 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 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 M END > LMSP0505CF05 > > Galbeta1-4GlcNAcalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C82H149N3O33 > 1704.01 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261432 > - > - > Active (generated by computational methods) > - $$$$