Accord 08271317192D 109113 0 0 0 0 0 0 0 0999 V2000 23.5289 7.7689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7931 8.1924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0571 7.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9543 7.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1035 7.0330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2650 8.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3327 6.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3327 5.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5969 7.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1936 8.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3829 8.9025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8556 6.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1139 7.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3723 6.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6306 7.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8890 6.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3151 8.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5734 7.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8317 8.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0900 7.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3483 8.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6068 7.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8650 8.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1233 7.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8890 5.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1233 7.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3106 6.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4980 7.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6853 6.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8726 7.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0600 6.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0834 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2779 5.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4723 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 5.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8612 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0556 5.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2501 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4445 5.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6389 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8334 5.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0278 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2222 5.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6111 5.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8056 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2700 10.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5971 10.2044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6513 10.4748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6998 10.2255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2079 11.0773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1537 10.8071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7139 11.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 10.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9833 10.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 10.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1053 11.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2269 11.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0063 10.5133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0605 10.7837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1090 10.5344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6171 11.3863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5629 11.1161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1231 11.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1765 10.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3925 10.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6061 11.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5145 11.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6361 11.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5642 10.8300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7895 10.2238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4319 9.3075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4537 9.4102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2282 10.0166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7643 9.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2028 10.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8554 8.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9989 9.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5860 10.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7870 10.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8718 7.9607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9261 8.2311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9746 7.9818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4827 8.8337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4284 8.5634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9886 8.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0421 7.8046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2580 8.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4716 9.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3801 8.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5016 9.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9089 7.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 7.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4805 7.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4298 8.2774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6551 7.6712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2975 6.7549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3193 6.8576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0938 7.4640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6298 7.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0684 7.5143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7210 6.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9734 7.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4516 8.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6526 7.8749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1580 7.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5416 7.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9063 6.9380 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 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 67 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 89 96 1 0 0 0 0 M END > LMISSP0506AD05 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C76H139N3O28 > 1541.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261864 > - > - > Active (generated by computational methods) > - $$$$