Accord 08271317192D 123129 0 0 0 0 0 0 0 0999 V2000 24.2927 7.6405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5906 8.0447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8882 7.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6987 6.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8868 6.9383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 8.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1512 6.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1512 5.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4491 6.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9728 8.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1991 8.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 6.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0339 6.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3261 6.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6183 6.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9107 6.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1801 8.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4724 7.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7646 8.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0568 7.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3489 8.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6413 7.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9335 8.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2257 7.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9107 5.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2257 6.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4501 6.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6747 6.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8991 6.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1236 6.9455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3481 6.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1419 5.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3732 5.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6044 5.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8357 5.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0670 5.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2982 5.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5295 5.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7608 5.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9920 5.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2233 5.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3578 9.9647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4553 10.2228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5473 9.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0779 10.7978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9804 10.5399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5607 10.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5660 9.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8635 10.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5733 10.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8885 10.7777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0502 11.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9312 10.2595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0286 10.5176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1206 10.2797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6512 11.0926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5537 10.8347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1340 11.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1393 10.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4368 10.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6406 11.6213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4619 11.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6236 11.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4983 9.6232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5958 9.8812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6877 9.6433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2183 10.4562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1208 10.1984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7011 10.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7064 9.4742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 9.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7138 10.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0290 10.4362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1907 10.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5794 9.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8929 9.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1705 9.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0716 9.9180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1691 10.1760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2610 9.9381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7917 10.7510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6942 10.4932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2745 10.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2797 9.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5773 10.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7811 11.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6023 10.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7640 11.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6387 9.2816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7362 9.5397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8282 9.3018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3588 10.1147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2613 9.8568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8416 10.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8468 9.1326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1444 9.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 9.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1694 10.0946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3311 10.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7198 8.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0334 8.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 8.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3602 10.3174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9526 9.6115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1641 9.8181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1829 9.5940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7879 10.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2642 10.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5464 9.7707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7517 9.4057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1829 9.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5765 10.0935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2136 9.7278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2221 8.9127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4382 8.6891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7076 7.9968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8690 8.9124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4897 8.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6521 9.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2932 8.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9818 7.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6529 9.1361 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 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 73 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 105106 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 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 104113 1 0 0 0 0 98104 1 0 0 0 0 114115 1 1 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 118123 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 114123 1 0 0 0 0 72114 1 0 0 0 0 M END > LMSP0505CN02 > > Fucalpha1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C82H147N3O36 > 1749.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261485 > - > - > Active (generated by computational methods) > - $$$$