Accord 08271317182D 90 93 0 0 0 0 0 0 0 0999 V2000 21.3713 7.2217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6528 7.6354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9340 7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7866 6.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9559 6.5032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0902 7.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2032 6.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2032 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4848 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0440 8.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2524 8.3288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7609 6.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0366 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3124 6.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5880 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8638 6.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1395 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4153 6.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6910 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9668 6.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2425 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5182 6.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7940 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0697 6.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3455 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6212 6.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1727 6.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4485 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7242 6.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2095 7.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4852 7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7609 7.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0367 7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3124 7.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5882 7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8639 7.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1397 7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4154 7.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6912 7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9669 7.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2426 7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5184 7.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7941 7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0953 9.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4379 9.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5139 9.8652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5843 9.6216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1037 10.4539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0277 10.1899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5980 10.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6272 9.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8843 9.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5872 10.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9574 10.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0992 10.7745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9297 9.9028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0058 10.1670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0762 9.9235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5956 10.7557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5196 10.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0899 10.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1191 9.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3761 10.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5848 11.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4493 10.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5911 11.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0791 12.0050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1551 12.2692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2255 12.0257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7449 12.8579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6689 12.5939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2392 12.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2684 11.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5254 12.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 13.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5986 12.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7404 13.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5646 11.3536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6406 11.6178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7110 11.3742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2304 12.2064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1544 11.9424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7247 12.1905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7539 11.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0109 11.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2196 12.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0841 12.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2259 12.5271 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 3 32 2 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 76 80 1 0 0 0 0 M END > LMISSP0502AO04 > > Galbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C64H119NO23 > 1269.82 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260279 > - > - > Active (generated by computational methods) > - $$$$