Accord 08271317182D 107111 0 0 0 0 0 0 0 0999 V2000 22.0676 7.3056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3185 7.7370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5692 7.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5006 6.5566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6345 6.5566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8170 7.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8498 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8498 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1008 6.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7264 8.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9010 8.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3461 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5910 6.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8360 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0809 6.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3259 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5708 6.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8158 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0607 6.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3057 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5506 6.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7954 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0404 6.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2853 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5303 6.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7752 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0202 6.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2651 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5101 6.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 6.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8139 7.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0588 7.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3037 7.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5487 7.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7935 7.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0385 7.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2834 7.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5284 7.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7733 7.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0183 7.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2632 7.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5081 7.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7531 7.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 7.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8224 10.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1370 9.7862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1737 10.0616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2046 9.8077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7036 10.6753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6668 10.4001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2189 10.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2918 9.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4748 10.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1651 10.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6361 10.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7414 11.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4797 10.1008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5164 10.3762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5472 10.1223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0462 10.9900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0095 10.7147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5616 10.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6345 9.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8174 10.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0350 11.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9788 10.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0841 11.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5077 12.2924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5445 12.5679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5753 12.3139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0743 13.1816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0376 12.9064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5896 13.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6626 12.1334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8455 12.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0630 13.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0068 13.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1121 13.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8437 11.6133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8805 11.8887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9113 11.6348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4103 12.5024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3736 12.2272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9257 12.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9986 11.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1815 11.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3991 12.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3429 12.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4481 12.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8630 11.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1977 11.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4266 11.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3776 13.4823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6887 14.2097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7253 14.4845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7357 15.4863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4247 14.7591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1708 15.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5693 13.7757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1967 15.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9434 15.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3882 14.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7991 15.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3449 13.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5108 13.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9693 13.8848 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 3 32 2 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 77 94 1 0 0 0 0 M END > LMISSP0502BC04 > > GalNAcbeta1-3(GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C74H135N3O28 > 1513.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260391 > - > - > Active (generated by computational methods) > - $$$$