Accord 08271317192D 132138 0 0 0 0 0 0 0 0999 V2000 24.3203 8.6732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6462 9.0613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9717 8.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7101 7.9990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9306 7.9990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2243 7.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2243 6.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5501 7.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0132 9.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2703 9.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8709 7.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1912 7.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5116 7.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8321 7.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1525 7.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4728 7.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7932 7.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1137 7.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4340 7.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7544 7.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0748 7.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0836 6.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7639 6.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7726 5.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0950 5.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4135 5.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7358 5.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0542 5.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3767 5.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6950 5.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0175 5.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3358 5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6582 5.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9767 5.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2919 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6123 8.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9326 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2530 8.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5734 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8939 8.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2142 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5346 8.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8550 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1755 8.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4958 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8161 8.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1366 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4570 8.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3829 10.9067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5156 11.1546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6430 10.9260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1920 11.7072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0592 11.4594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6559 11.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6220 10.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9860 11.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7071 11.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9319 11.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1264 12.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0900 11.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2227 11.4379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3501 11.2093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8991 11.9905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7664 11.7427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3631 11.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3291 11.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6931 11.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8889 12.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6390 11.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8335 12.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7911 10.5785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9239 10.8264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0513 10.5978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6002 11.3790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4675 11.1312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0642 11.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0302 10.4353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3942 10.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1154 11.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3402 11.3597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5346 11.6799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9081 10.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2095 10.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5153 10.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4923 9.9670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6250 10.2149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7524 9.9863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3014 10.7675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1686 10.5197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7653 10.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7313 9.8238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0953 10.1624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2912 11.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0413 10.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2358 11.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1934 9.3555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3261 9.6034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4536 9.3748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0025 10.1560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8698 9.9082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4665 10.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4325 9.2123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7965 9.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5176 9.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 10.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9369 10.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3104 9.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6117 8.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9175 9.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9005 9.6388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0333 9.8867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1607 9.6581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7096 10.4393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5769 10.1915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1736 10.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1396 9.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5036 9.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6995 10.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4496 10.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 10.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6407 11.5738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9582 11.1893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4070 11.7459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4858 12.0405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3316 12.3286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8298 12.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5272 11.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8643 11.6066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2224 11.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8829 11.7720 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 81123 1 0 0 0 0 M END > LMISSP0504BD06 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C90H163N3O37 > 1878.10 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260849 > - > - > Active (generated by computational methods) > - $$$$