Accord 08271317182D 105109 0 0 0 0 0 0 0 0999 V2000 20.2126 8.9911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4792 9.4133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7455 8.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6366 8.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7886 8.2576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9463 9.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0202 7.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0202 6.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2869 8.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8785 10.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0703 10.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5480 7.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8087 8.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0694 7.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3302 8.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5909 7.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8515 8.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1123 7.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3730 8.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6337 7.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8944 8.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1552 7.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1647 6.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9047 6.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9142 5.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1771 5.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4357 5.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6985 5.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9571 5.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2200 5.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4785 5.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7415 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0060 9.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2667 8.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5273 9.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7881 8.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0487 9.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3096 8.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5702 9.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8310 8.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0917 9.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3525 8.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6131 9.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8737 8.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 9.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3952 8.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9519 11.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2806 11.4207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3372 11.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3880 11.4417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8973 12.2915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8407 12.0219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4020 12.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4529 11.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6732 11.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3699 11.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7901 12.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9138 12.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6986 11.7288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7551 11.9986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8059 11.7499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3153 12.5997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2587 12.3301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8200 12.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8708 11.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0911 11.9415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 13.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2080 12.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3317 12.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1100 11.0636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1666 11.3334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2174 11.0847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7267 11.9345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6701 11.6649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2314 11.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2823 10.9079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5026 11.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1993 11.6300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6194 11.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7431 12.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1494 10.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4772 10.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7221 10.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5215 10.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5780 10.6682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6288 10.4195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1381 11.2693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0816 10.9997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6429 11.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6937 10.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 10.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1271 11.8220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 11.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1546 11.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1773 10.2427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7512 9.5048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9269 9.7207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9012 9.4865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5337 10.2245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9862 10.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3719 9.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4959 9.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9012 8.9235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3580 10.0087 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 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 3 34 2 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 78 85 1 0 0 0 0 96 97 1 1 0 0 0 97 98 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 96105 1 0 0 0 0 91 96 1 0 0 0 0 M END > LMSP0504AD05 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C74H136N2O27 > 1484.93 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260640 > - > - > Active (generated by computational methods) > - $$$$