Accord 08271317182D 109113 0 0 0 0 0 0 0 0999 V2000 23.4776 7.2946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7326 7.7236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9873 7.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9083 6.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0469 6.5496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2230 7.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2664 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2664 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5214 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1382 8.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3173 8.4426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7708 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0198 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2689 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5178 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7669 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0159 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2648 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5139 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7629 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0119 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2609 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5100 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7589 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0080 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2569 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7550 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0039 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2530 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2361 7.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4850 7.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7340 7.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9831 7.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2320 7.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4811 7.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7301 7.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9791 7.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2281 7.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4772 7.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7261 7.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9751 7.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2241 7.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4731 7.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2288 10.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5468 9.7630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5883 10.0370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6240 9.7844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1255 10.6477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0840 10.3738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6382 10.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7058 9.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8978 9.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5896 10.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0484 10.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1581 10.9803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9076 10.0760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9492 10.3501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9848 10.0975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4863 10.9608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4448 10.6869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9991 10.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0667 9.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2587 10.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4751 11.5223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4093 10.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5190 11.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9505 12.2568 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9920 12.5308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0277 12.2782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5292 13.1415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4877 12.8676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0420 13.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1095 12.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3015 12.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5180 13.7030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4521 13.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5618 13.4741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3047 11.5810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3463 11.8550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3819 11.6024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8834 12.4657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8419 12.1918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3962 12.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4638 11.4227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6558 11.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 12.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8064 12.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9161 12.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3289 11.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6619 10.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8947 11.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2341 13.4278 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2756 13.7019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3113 13.4492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8128 14.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7713 14.0387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3255 14.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3931 13.2696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5851 13.6438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 14.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7357 14.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8454 14.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2582 13.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5912 12.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8240 13.0592 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 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 78 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 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 M END > LMISSP0502BD05 > > GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C76H139N3O28 > 1541.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260400 > - > - > Active (generated by computational methods) > - $$$$