Accord 08271317182D 122127 0 0 0 0 0 0 0 0999 V2000 24.3207 8.6734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6469 9.0613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9728 8.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7103 7.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9312 7.9995 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 23.2252 7.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2252 6.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5514 7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0137 9.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2712 9.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8726 7.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1933 7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5141 7.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8349 7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1557 7.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4764 7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7972 7.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1180 7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4387 7.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7595 7.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0803 7.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0890 6.8185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7690 6.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7777 5.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1004 5.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4193 5.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7420 5.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0608 5.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3836 5.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7023 5.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0251 5.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3439 5.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6666 5.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9854 5.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2933 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6141 8.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9348 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2556 8.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5763 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8972 8.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2179 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5387 8.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8595 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1803 8.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5010 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8217 8.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1426 9.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4633 8.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3832 10.9057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5164 11.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6443 10.9250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1935 11.7057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0603 11.4581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6572 11.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6227 10.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9876 11.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7089 11.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9325 11.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1274 12.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0921 11.1888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2254 11.4366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3532 11.2082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9024 11.9889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7692 11.7412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3661 11.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3316 11.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6965 11.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8923 12.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6414 11.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8363 12.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7951 10.5776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9283 10.8255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0562 10.5970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6054 11.3777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4722 11.1301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0691 11.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0346 10.4345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3995 10.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1208 11.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3444 11.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5393 11.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9125 10.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2137 10.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5199 10.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4980 9.9665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6312 10.2143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7591 9.9858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3083 10.7665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1751 10.5189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7720 10.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7375 9.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1024 10.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2982 11.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0473 10.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2422 11.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2010 9.3553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3342 9.6031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4621 9.3746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0113 10.1554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8780 9.9077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4750 10.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4404 9.2122 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8053 9.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 9.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7503 10.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9451 10.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3184 9.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6196 8.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9258 9.0219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9039 8.7441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0371 8.9920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1650 8.7635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7142 9.5442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5810 9.2965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1779 9.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1434 8.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 8.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7040 10.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4532 9.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6481 9.8450 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 105112 1 0 0 0 0 M END > LMSP0504AL06 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C84H153N3O33 > 1732.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260705 > - > - > Active (generated by computational methods) > - $$$$