Accord 08271317192D 128134 0 0 0 0 0 0 0 0999 V2000 24.4233 7.1520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8507 7.4816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2780 7.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7543 6.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0922 6.5794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4925 6.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4925 5.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9199 6.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1624 8.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5316 8.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3431 6.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7660 6.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1889 6.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6117 6.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0347 6.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7007 7.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1235 7.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5464 7.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9693 7.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3920 7.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8151 7.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2379 7.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6607 7.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0347 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6607 6.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0283 6.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3960 6.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7636 6.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1312 6.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4989 6.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4078 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7810 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1542 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5273 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9005 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2737 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6468 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0200 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3931 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7663 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4764 9.0472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7404 9.2576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0000 9.0636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6173 9.7265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3532 9.5162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0110 9.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8307 8.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4425 9.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2059 9.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0937 9.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4101 9.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6822 9.2876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9463 9.4980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2059 9.3040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8231 9.9669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5590 9.7566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2168 9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0365 9.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6483 9.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8145 10.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2996 9.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6160 10.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8830 8.7687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1471 8.9791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4067 8.7851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0239 9.4480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7598 9.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4176 9.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2373 8.6472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8491 8.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6125 9.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5003 9.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8168 9.7034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1337 8.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3894 8.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8003 8.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0889 9.0091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3529 9.2195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6125 9.0255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2298 9.6884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9657 9.4781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6235 9.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4432 8.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0549 9.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2211 10.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7062 9.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0226 9.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2896 8.4902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5537 8.7006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8133 8.5066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4305 9.1695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1665 8.9592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8242 9.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6439 8.3687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2557 8.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0191 8.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9070 9.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2234 9.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5403 8.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7960 8.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2070 8.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4955 8.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7596 8.9410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0191 8.7470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6364 9.4099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3723 9.1996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0301 9.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8498 8.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4616 8.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6278 9.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1128 9.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4293 9.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6963 8.2117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9603 8.4221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2199 8.2282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8372 8.8910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5731 8.6807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2309 8.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0506 8.0902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6624 8.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4258 8.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3136 8.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6301 9.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 7.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2027 7.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6136 7.9287 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 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 M END > LMISSP0505BF02 > > GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C84H150N4O38 > 1822.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261221 > - > - > Active (generated by computational methods) > - $$$$