Accord 08271317182D 131137 0 0 0 0 0 0 0 0999 V2000 23.4955 7.2965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7497 7.7260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0037 7.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9265 6.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0643 6.5508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2416 7.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2831 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2831 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5374 6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1558 8.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3341 8.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7861 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0343 6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2826 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5309 6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7792 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0275 6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2758 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5240 6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7724 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0206 6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2689 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5172 6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7654 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0138 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2620 6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5104 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7586 6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0069 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2552 6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5035 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7518 6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2517 7.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5000 7.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7482 7.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9966 7.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2448 7.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4931 7.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7414 7.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9897 7.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2380 7.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4863 7.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7345 7.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9828 7.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2311 7.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4794 7.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2469 10.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5646 9.7661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6056 10.0403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6407 9.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1419 10.6512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1009 10.3772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6550 10.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7231 9.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9141 9.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6058 10.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0659 10.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1752 10.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9234 10.0793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9644 10.3535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9996 10.1007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5008 10.9645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4598 10.6905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0138 10.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0820 9.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2730 10.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4896 11.5264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4248 10.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5340 11.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9647 12.2612 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.0057 12.5354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0408 12.2826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5421 13.1464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5010 12.8724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0551 13.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1233 12.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3142 12.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5308 13.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4660 13.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5753 13.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3169 11.5850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3579 11.8592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3931 11.6065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8943 12.4702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8533 12.1962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4074 12.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4755 11.4267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6665 11.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8831 12.8956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8183 12.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9275 12.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3405 11.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6737 10.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9061 11.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6692 10.9089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7102 11.1831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7453 10.9303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2466 11.7941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2056 11.5201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7596 11.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8278 10.7506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0188 11.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2353 12.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1705 11.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2798 12.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2452 13.4329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5593 14.1571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6001 14.4306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6105 15.4280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2965 14.7040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0437 15.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4404 13.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0739 14.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9914 15.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2557 14.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6692 15.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2170 13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3822 13.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8430 13.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3091 15.1721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6232 15.8963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6640 16.1698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6744 17.1672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3604 16.4432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1076 16.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5043 15.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1378 16.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9507 17.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3196 16.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7332 16.9277 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 2 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 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 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 89 96 1 0 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 118119 1 0 0 0 0 118120 2 0 0 0 0 92107 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 115121 1 0 0 0 0 M END > LMSP0502AG07 > > Galbeta1-3(Galbeta1-4GlcNAcbeta1-6)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C88H157N3O38 > 1864.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260218 > - > - > Active (generated by computational methods) > - $$$$