Accord 08271317192D 116121 0 0 0 0 0 0 0 0999 V2000 22.4002 7.7881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6588 8.2149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9172 7.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8289 7.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9716 7.0466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1420 8.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1949 6.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1949 5.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4535 7.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0624 8.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2455 8.9304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7066 6.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9592 7.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2119 6.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4645 7.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7173 6.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1696 8.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4222 7.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6749 8.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9275 7.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1801 8.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4329 7.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6855 8.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9381 7.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7173 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9381 7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1192 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3004 7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4815 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6626 7.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8437 6.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9056 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0939 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2821 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6587 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8470 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0353 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2236 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4118 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6001 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7884 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9767 5.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1471 10.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4690 10.2422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5160 10.5147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5572 10.2635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0616 11.1219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0145 10.8496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5714 11.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6329 10.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8352 10.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5288 10.8143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9735 11.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0883 11.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8507 10.5535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8978 10.8260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9390 10.5748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4433 11.4332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3963 11.1609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9532 11.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0146 10.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2170 10.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4322 11.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3552 11.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4701 11.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2259 9.8816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2730 10.1541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3142 9.9029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8185 10.7612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7715 10.4890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3283 10.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3898 9.7243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5922 10.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2858 10.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7304 10.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8452 11.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2556 9.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5868 9.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8240 9.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6077 10.1929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6547 10.4654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6959 10.2142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2003 11.0725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1533 10.8003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7101 11.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7716 10.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9739 10.4077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1891 11.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1122 11.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2270 11.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1394 10.5120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3587 9.9012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9984 8.9779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0127 9.0814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7931 9.6924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3256 9.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7752 9.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 8.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1536 10.6157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3486 10.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7541 11.7307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0726 12.4503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1194 12.7221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1297 13.7133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8114 12.9938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5602 13.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9544 12.0209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5964 13.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3352 14.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7645 12.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1818 13.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7324 11.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8966 11.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3608 12.1289 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 88 92 1 0 0 0 0 103104 1 1 0 0 0 105104 1 1 0 0 0 106105 1 1 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 107112 1 0 0 0 0 103112 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 114115 1 0 0 0 0 114116 2 0 0 0 0 64103 1 0 0 0 0 M END > LMSP0505CB03 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O33 > 1647.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261398 > - > - > Active (generated by computational methods) > - $$$$