Mol:FL5FABGI0024
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 59 64 0 0 0 0 0 0 0 0999 V2000 3.0087 1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2942 2.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 2.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7231 2.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7231 1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8653 1.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1508 1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1508 0.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8653 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 0.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5637 1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2782 1.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2782 0.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5637 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8653 -0.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3266 2.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1889 0.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5637 -0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 1.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5637 2.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 2.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5036 3.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 3.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 2.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7035 2.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2908 1.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4925 1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1116 2.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 1.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 2.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5569 3.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6027 2.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0311 1.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0739 1.0519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2969 -2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1163 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 -1.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0843 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2649 -0.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9539 -1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3102 -1.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 -1.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1636 -2.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 -2.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4498 -1.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8861 -2.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2987 -3.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 -3.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7069 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -2.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0877 -2.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7102 -3.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 -3.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8362 -3.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -2.6895 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 11 17 2 0 0 0 0 5 18 1 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 14 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 18 27 1 0 0 0 0 28 29 1 1 0 0 0 29 30 1 1 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 30 38 1 0 0 0 0 31 21 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 1 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 39 47 1 0 0 0 0 40 48 1 0 0 0 0 41 49 1 0 0 0 0 42 19 1 0 0 0 0 50 51 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 50 1 0 0 0 0 53 56 1 0 0 0 0 52 57 1 0 0 0 0 51 58 1 0 0 0 0 50 59 1 0 0 0 0 54 46 1 0 0 0 0 S SKP 5 ID FL5FABGI0024 FORMULA C39H50O20 EXACTMASS 838.28954404 AVERAGEMASS 838.8023000000001 SMILES C(=C5c(c6)ccc(OC)c6)(C(c(c(O5)3)c(cc(OC(O4)C(O)C(O)C(O)C(CO)4)c3CC=C(C)C)O)=O)OC(C2O)OC(C(C2O)O)COC(O1)C(C(C(C1C)O)O)O M END
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