Accord 08271317182D 122128 0 0 0 0 0 0 0 0999 V2000 22.4754 7.5051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7312 7.9336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9868 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9056 6.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0452 6.7608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2199 7.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2656 6.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2656 5.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5214 6.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1363 8.6353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3164 8.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7717 6.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0214 6.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2714 6.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5212 6.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7711 6.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0208 6.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2708 6.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5206 6.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7704 6.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0202 6.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2702 6.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5199 6.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7698 6.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2363 7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4862 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7360 7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9859 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2356 7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4856 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7354 7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9853 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2350 7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4850 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7348 7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9846 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2345 7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4844 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2252 10.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5443 9.9690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5875 10.2426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6247 9.9904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1272 10.8522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0840 10.5788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6390 10.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7048 9.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8998 10.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5922 10.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0468 10.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1580 11.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9114 10.2816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9546 10.5552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9918 10.3029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4942 11.1648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4510 10.8914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0060 11.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0718 10.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2669 10.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4830 11.7254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4138 11.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5251 11.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2718 9.6069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3150 9.8805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3522 9.6283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8547 10.4901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8115 10.2167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3665 10.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4323 9.4489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6273 9.8225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3197 10.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7743 10.4689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8855 10.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2975 9.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6301 9.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8641 9.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6323 8.9323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6754 9.2058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7127 8.9536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2151 9.8154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1719 9.5420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7269 9.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7927 8.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9878 9.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2039 10.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1347 9.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2460 10.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1498 9.2527 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3661 8.6394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0042 7.7122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0145 7.8162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7981 8.4297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3287 8.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7842 8.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4209 7.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1601 9.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 8.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2690 8.7743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2780 7.9101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4469 7.6731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6724 6.9391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8435 7.9098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4413 7.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7340 8.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2932 7.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9631 6.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6746 8.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7959 10.7050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0430 10.2808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4350 10.8949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4185 11.2199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3517 11.5377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7981 11.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6708 10.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8361 10.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 10.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9599 10.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7698 5.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1051 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4618 5.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8220 5.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0942 5.6698 0.0000 C 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 3 25 2 0 0 0 0 25 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 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 6 39 1 0 0 0 0 40 41 1 1 0 0 0 42 41 1 1 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 49 1 0 0 0 0 40 49 1 0 0 0 0 41 46 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 45 50 1 0 0 0 0 39 40 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 48 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 2 0 0 0 0 58 62 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 69 76 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 83 87 1 0 0 0 0 98 99 1 1 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 98107 1 0 0 0 0 82 98 1 0 0 0 0 108109 1 1 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 108117 1 0 0 0 0 70108 1 0 0 0 0 24118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 M END > LMISSP0504AG03 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C82H148N2O36 > 1736.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260662 > - > - > Active (generated by computational methods) > - $$$$