Accord 08271317182D 114119 0 0 0 0 0 0 0 0999 V2000 24.3037 7.1288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6122 7.5270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9204 7.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7034 6.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9039 6.4373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9954 7.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1795 6.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1795 5.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4881 6.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9886 8.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2267 8.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7914 6.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0944 6.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3974 6.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7004 6.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0034 6.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3064 6.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6094 6.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9124 6.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2153 6.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5183 6.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8213 6.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1243 6.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4273 6.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7303 6.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0333 6.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3363 6.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2231 7.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5261 7.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8291 7.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1321 7.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4351 7.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7381 7.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0411 7.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3440 7.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6470 7.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9500 7.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2530 7.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5560 7.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8591 7.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1621 7.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3676 9.4173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4788 9.6714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5846 9.4371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1223 10.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0111 9.9837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5978 10.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5878 9.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9112 9.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6255 9.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9054 10.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0799 10.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9931 9.7076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1043 9.9618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2100 9.7275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7478 10.5280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6366 10.2741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2233 10.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2132 9.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5367 9.9080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7374 11.0487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5309 10.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7054 10.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1050 10.8055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2162 11.0596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3220 10.8253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8597 11.6259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7485 11.3719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3352 11.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3252 10.6588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6486 11.0058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8493 12.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6428 11.6061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8173 11.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2001 10.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5089 10.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7975 10.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7243 10.1788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8355 10.4329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9413 10.1987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4791 10.9992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3678 10.7453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9545 10.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9445 10.0321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2679 10.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4687 11.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2622 10.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4366 11.3076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3436 9.5521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4549 9.8063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5606 9.5720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0984 10.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9872 10.1186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5739 10.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5638 9.4054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8873 9.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6015 10.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8815 10.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0560 10.6810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4387 9.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7475 8.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0361 9.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9691 9.8425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0803 10.0966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1861 9.8623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7239 10.6629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6126 10.4089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1993 10.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1893 9.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5127 10.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7134 11.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 10.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6814 10.9713 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 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 62 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 72 79 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 86 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 98104 1 0 0 0 0 M END > LMISSP0503AF02 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O33 > 1619.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260525 > - > - > Active (generated by computational methods) > - $$$$