Mol:FL5FACGS0122
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 75 82 0 0 0 0 0 0 0 0999 V2000 4.7426 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 2.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 3.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7426 3.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 3.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 2.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3136 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5992 2.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8847 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8847 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5992 0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3136 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 2.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4557 2.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4557 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5992 0.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2587 2.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 0.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 0.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0489 3.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7426 4.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3966 -1.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2118 -1.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5508 -0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 -0.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4106 -0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0715 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3753 -0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4469 -0.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 -0.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 -2.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -0.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 -1.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4369 -2.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3566 -2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 -2.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5676 -1.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 -1.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1709 -2.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2213 -2.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9785 -2.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6364 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5153 -1.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1034 -0.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3392 -1.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 -2.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -2.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9875 -1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8125 -1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2250 -2.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8125 -2.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9875 -2.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0489 -2.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 -3.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1695 -4.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 -3.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7822 -3.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4968 -3.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 -3.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5937 -3.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 -3.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4103 -4.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8306 -4.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7705 -3.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1825 -2.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5147 -3.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8013 -2.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4422 -1.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8234 -1.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9955 -2.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0821 -3.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 -3.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9527 -2.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 19 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 34 1 0 0 0 0 37 40 1 0 0 0 0 36 41 1 0 0 0 0 35 42 1 0 0 0 0 34 43 1 0 0 0 0 38 30 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 48 1 0 0 0 0 51 54 1 0 0 0 0 42 44 1 0 0 0 0 55 56 1 1 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 55 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 55 63 1 0 0 0 0 56 64 1 0 0 0 0 57 65 1 0 0 0 0 58 41 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 66 1 0 0 0 0 69 72 1 0 0 0 0 68 73 1 0 0 0 0 67 74 1 0 0 0 0 66 75 1 0 0 0 0 70 33 1 0 0 0 0 S SKP 5 ID FL5FACGS0122 FORMULA C48H56O27 EXACTMASS 1064.300896586 AVERAGEMASS 1064.94204 SMILES C(C7O)(OC(C(C7OC(O8)C(O)C(O)C(O)C8CO)OC(=O)C=Cc(c6)ccc(O)c6)C)OCC(C(O)4)OC(C(OC(O5)C(O)C(O)C(C(C)5)O)C4O)OC(C2=O)=C(c(c3)cc(c(O)c3)O)Oc(c21)cc(cc1O)O M END
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