Accord 08271317182D 103107 0 0 0 0 0 0 0 0999 V2000 19.0803 7.3104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3295 7.7428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5784 7.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5143 6.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6462 6.5596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8314 7.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8597 6.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8597 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1089 6.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7382 8.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9109 8.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3525 6.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5956 6.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8388 6.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0820 6.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3251 6.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5683 6.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8115 6.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0547 6.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2978 6.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5410 6.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7842 6.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0273 6.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2705 6.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5137 6.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7568 6.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8212 7.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0644 7.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3076 7.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5507 7.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7939 7.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0371 7.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2802 7.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5234 7.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7666 7.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0097 7.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2529 7.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4961 7.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7393 7.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9825 7.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8364 10.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1497 9.7954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1847 10.0713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2137 9.8169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7118 10.6861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6768 10.4104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2280 10.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3030 9.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4825 10.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1722 10.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6479 10.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7515 11.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4856 10.1106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5205 10.3865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5495 10.1321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0476 11.0014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0127 10.7257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5639 10.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6388 9.9513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8184 10.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0363 11.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9838 10.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0874 11.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5081 12.3063 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5430 12.5822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5721 12.3278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0702 13.1971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0352 12.9214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5864 13.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6614 12.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8409 12.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0589 13.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0063 13.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1099 13.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8373 11.6258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8722 11.9018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9013 11.6474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3994 12.5166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3644 12.2409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9156 12.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9906 11.4665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1701 11.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3881 12.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3355 12.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4391 12.8515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8547 11.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 11.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4176 11.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3722 13.4984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6820 14.2271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7167 14.5024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7272 15.5061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4175 14.7775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1631 15.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5623 13.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1871 15.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9353 15.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3827 14.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7926 15.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 13.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5038 13.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9612 13.9016 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 M END > LMISSP0502BC02 > > GalNAcbeta1-3(GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C70H127N3O28 > 1457.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260389 > - > - > Active (generated by computational methods) > - $$$$