Accord 08271317192D 134141 0 0 0 0 0 0 0 0999 V2000 24.3207 7.0779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6462 7.4664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9713 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7106 6.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9307 6.4034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2241 6.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2241 5.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5495 6.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0134 8.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2701 8.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8700 6.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1900 6.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5100 6.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8301 6.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1501 6.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4702 6.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7902 6.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1103 6.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4303 6.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7503 6.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0704 6.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3904 6.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7105 6.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0305 6.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3506 6.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6706 6.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2911 7.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6111 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9312 7.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2512 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5713 7.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8913 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2113 7.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5314 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8514 7.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1715 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4915 7.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8116 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1317 7.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4517 7.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3831 9.3105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5160 9.5584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6437 9.3299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1928 10.1108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0598 9.8631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6566 10.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6223 9.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9868 9.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7080 9.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9322 10.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1269 10.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0911 9.5937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2241 9.8416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3517 9.6131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9008 10.3940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7678 10.1463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3646 10.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3304 9.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6948 9.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8906 10.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6403 10.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8349 10.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7932 8.9824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9261 9.2303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0538 9.0017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6028 9.7827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4699 9.5350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0667 9.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0324 8.8392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3969 9.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1181 9.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3423 9.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5370 10.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9104 8.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2116 8.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5176 8.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4952 8.3710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6282 8.6190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7558 8.3904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3049 9.1713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1719 8.9236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7687 9.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7345 8.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0989 8.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2948 9.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0444 9.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2390 9.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1973 7.7597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3302 8.0076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4579 7.7791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0070 8.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8740 8.3123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4708 8.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4365 7.6166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8010 7.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5222 8.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7464 8.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9411 8.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3145 7.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6157 7.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9217 7.4263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8993 7.1484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0323 7.3963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1600 7.1677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7090 7.9487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5760 7.7010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1729 7.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1386 7.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5031 7.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6989 8.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4485 7.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6432 8.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0477 8.7548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3653 8.3704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8144 8.9269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8934 9.2214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7390 9.5093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2373 9.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9343 8.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2718 8.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6301 8.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 8.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6436 9.9774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9612 9.5930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4103 10.1495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4893 10.4440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3349 10.7320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8332 10.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5301 9.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8676 10.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2259 9.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8860 10.1756 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 61 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 97104 1 0 0 0 0 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 98115 1 0 0 0 0 125126 1 1 0 0 0 126127 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 125134 1 0 0 0 0 73125 1 0 0 0 0 M END > LMISSP0504BT02 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C88H157N3O41 > 1912.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260957 > - > - > Active (generated by computational methods) > - $$$$