Accord 08271317192D 135142 0 0 0 0 0 0 0 0999 V2000 24.4117 7.1957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8276 7.5319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2434 7.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7493 6.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0740 6.6115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4622 6.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4622 5.5908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8781 6.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1456 8.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5020 8.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2897 6.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7009 6.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1122 6.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5235 6.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9348 6.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6544 7.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0657 7.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4769 7.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8882 7.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2994 7.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7108 7.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1220 7.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5332 7.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9348 5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5332 6.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8881 6.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2431 6.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5980 6.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9528 6.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3078 6.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2954 5.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6559 5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0165 5.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3770 5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7376 5.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0981 5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4587 5.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8192 5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1798 5.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5403 5.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4658 9.1290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7151 9.3436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9598 9.1457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5693 9.8219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3201 9.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9710 9.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8072 9.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3910 9.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1497 9.5797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0755 9.8052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3782 10.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6155 9.3742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8648 9.5889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1094 9.3910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7190 10.0671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4697 9.8527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1206 10.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9568 9.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5407 9.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7102 10.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2251 10.0505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5278 10.3277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7600 8.8449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0092 9.0595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2539 8.8616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8635 9.5378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6142 9.3233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2651 9.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1013 8.7209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6851 9.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4438 9.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3696 9.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6723 9.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9956 8.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2564 8.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6555 8.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9096 9.0901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1589 9.3048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4036 9.1069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0131 9.7830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7639 9.5686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4147 9.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2509 8.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8348 9.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0043 10.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5193 9.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8220 10.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0541 8.5608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3034 8.7754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5480 8.5775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1576 9.2537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9083 9.0392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5592 9.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3954 8.4369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9793 8.7300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7379 9.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6637 9.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9664 9.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2897 8.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5506 8.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9497 8.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2037 8.8060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4530 9.0207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6977 8.8228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3073 9.4990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0580 9.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7089 9.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5451 8.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1289 8.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2985 9.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8134 9.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1161 9.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4715 9.0574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8565 8.5762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5727 7.8489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7962 7.9304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4109 8.4117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0427 8.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1846 8.4516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 7.4783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 8.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6950 9.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0608 8.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1342 8.6821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1412 8.0041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4892 7.8181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8815 7.2422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0158 8.0038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7002 7.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4990 8.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3686 7.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1095 6.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6678 8.1899 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 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 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 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 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 111115 1 0 0 0 0 126127 1 1 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 130135 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 126135 1 0 0 0 0 110126 1 0 0 0 0 M END > LMISSP0505AO02 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C88H157N3O42 > 1928.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261085 > - > - > Active (generated by computational methods) > - $$$$