Accord 08271317182D 124130 0 0 0 0 0 0 0 0999 V2000 23.8507 7.2951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1055 7.7242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3599 7.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2814 6.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4198 6.5498 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5962 7.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6392 6.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6392 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8939 6.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5112 8.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6900 8.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1432 6.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3920 6.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6408 6.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8896 6.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1384 6.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3872 6.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6360 6.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8848 6.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1336 6.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3823 6.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6311 6.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8799 6.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1287 6.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3775 6.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6263 6.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8751 6.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6084 7.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8572 7.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1060 7.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3548 7.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6036 7.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8524 7.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1012 7.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3500 7.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5988 7.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8476 7.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0964 7.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3452 7.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5941 7.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8429 7.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6011 10.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9196 9.7615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9617 10.0354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9980 9.7829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4998 10.6457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4576 10.3720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0122 10.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0791 9.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2722 9.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9643 10.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4215 10.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5318 10.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2827 10.0744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3248 10.3483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3611 10.0958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8629 10.9586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8208 10.6849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3753 10.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4423 9.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6353 10.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8517 11.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7846 10.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8949 11.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3274 12.2538 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.3695 12.5277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4058 12.2752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9076 13.1379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8655 12.8643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4200 13.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4869 12.0956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6800 12.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8964 13.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8293 13.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9396 13.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6839 11.5784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7260 11.8523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7623 11.5998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2641 12.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2220 12.1889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7765 12.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8435 11.4203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0366 11.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2529 12.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1858 12.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2961 12.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7086 11.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0414 10.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2747 11.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2148 13.4370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5298 14.1603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5717 14.4336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5820 15.4298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2672 14.7066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0147 15.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4109 13.7287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0460 14.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7886 15.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2253 14.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6395 15.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1878 13.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3529 13.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8143 13.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0499 14.0791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0920 14.3530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1282 14.1005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6301 14.9633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5879 14.6896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1425 14.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2094 13.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4025 14.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6188 15.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5518 14.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6621 15.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8387 13.3251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8297 14.1902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0067 13.0878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4119 12.4597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4027 13.3248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 12.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 14.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8528 12.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5223 11.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2346 13.5622 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 3 28 2 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 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 73 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 97104 1 0 0 0 0 116115 1 1 0 0 0 115117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 116124 1 0 0 0 0 111115 1 0 0 0 0 M END > LMISSP0502BN02 > > GalNAcbeta1-3(Fucalpha2-3Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C82H147N3O37 > 1765.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260477 > - > - > Active (generated by computational methods) > - $$$$