Accord 08271317182D 106110 0 0 0 0 0 0 0 0999 V2000 23.2781 7.2724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5411 7.6968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8038 7.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7041 6.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8520 6.5355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0154 7.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0799 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0799 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3430 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9424 8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1303 8.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6005 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8576 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1147 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3718 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6290 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8861 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1433 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4003 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6575 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9146 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1717 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4288 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6859 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9431 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2002 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4573 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7144 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9716 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2287 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4858 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7429 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0607 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3178 7.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5749 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8320 7.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0891 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3463 7.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6034 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8605 7.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1176 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3748 7.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6319 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8889 7.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1461 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4032 7.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0207 9.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3463 9.7129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3986 9.9839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4451 9.7341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9522 10.5877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8999 10.3169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4592 10.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5148 9.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7271 9.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4224 10.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8535 10.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9733 10.9166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7480 10.0225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8003 10.2935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8468 10.0437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3539 10.8973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3016 10.6265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8609 10.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9165 9.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1287 10.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3428 11.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2552 10.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3749 11.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8240 12.1788 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8763 12.4498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9228 12.1999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4299 13.0536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3776 12.7828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9369 13.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9925 12.0223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2048 12.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4188 13.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3312 13.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4510 13.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7444 13.3494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7967 13.6204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8432 13.3706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3503 14.2242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2980 13.9535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8573 14.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9129 13.1930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1252 13.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3392 14.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2516 14.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 14.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7795 12.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1088 12.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3502 12.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1396 12.6812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1919 12.9522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2383 12.7024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7454 13.5560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6931 13.2852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2524 13.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3081 12.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5203 12.8948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7343 14.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6468 13.5349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7665 13.8849 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 79 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 M END > LMISSP0502BK07 > > Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C74H134N2O28 > 1498.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260458 > - > - > Active (generated by computational methods) > - $$$$