Accord 08271317182D 107111 0 0 0 0 0 0 0 0999 V2000 22.0461 7.3030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2979 7.7339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5495 7.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4785 6.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6135 6.5550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7945 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8298 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8298 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0817 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7053 8.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8810 8.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3280 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5738 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8198 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0656 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3116 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5574 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8034 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0492 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2952 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5410 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7869 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2787 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5246 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7705 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0164 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2623 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5082 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7540 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7952 7.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0410 7.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2869 7.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5328 7.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7787 7.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0246 7.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2705 7.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5164 7.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7622 7.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0082 7.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2540 7.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4999 7.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7458 7.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9917 7.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7999 10.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1154 9.7804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1533 10.0555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1854 9.8019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6850 10.6684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6471 10.3936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1997 10.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2713 9.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4565 9.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1472 10.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6151 10.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7215 11.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4626 10.0947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5006 10.3698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5326 10.1162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0323 10.9827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9943 10.7078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5470 10.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6185 9.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8038 10.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0210 11.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9624 10.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0688 11.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4945 12.2835 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5324 12.5586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5645 12.3050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0641 13.1716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0262 12.8967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5788 13.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6504 12.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8356 12.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0529 13.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9942 13.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1006 13.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8351 11.6052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8731 11.8803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9051 11.6267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4048 12.4932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3668 12.2184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9194 12.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9910 11.4464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1762 11.8221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3935 12.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3349 12.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4413 12.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8556 11.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1898 10.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4198 11.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3337 11.9274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5457 11.3108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1819 10.3786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1868 10.4831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9746 11.0999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5027 10.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9661 11.1511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5954 9.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8349 10.7249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3386 12.0321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 11.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0573 10.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4475 11.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8011 10.5649 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 87 94 1 0 0 0 0 M END > LMSP0502AC04 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C74H135N3O28 > 1513.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260183 > - > - > Active (generated by computational methods) > - $$$$