Mol:FL3FACCS0026
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -2.0751 -0.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 -1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3606 -2.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6461 -1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6461 -0.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3606 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 -2.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 -1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 -0.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 -0.4658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0683 -2.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7893 -0.4659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5765 -0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 -0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0822 -0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0822 0.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 0.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5765 0.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8347 0.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2235 2.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1559 1.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 0.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 0.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6451 0.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7593 1.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2553 2.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 2.6282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8822 0.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8347 -0.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3606 -2.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1878 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6872 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6321 1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 2.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 2.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7291 1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1224 2.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0072 2.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1185 2.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8347 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5932 0.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 1 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 13 9 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 6 23 1 0 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 32 31 1 1 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 1 0 0 0 36 31 1 1 0 0 0 35 37 1 0 0 0 0 34 38 1 0 0 0 0 36 39 1 0 0 0 0 31 40 1 0 0 0 0 32 28 1 0 0 0 0 41 42 1 0 0 0 0 25 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 CH2OH M SBV 1 46 -0.6714 -0.2963 S SKP 5 ID FL3FACCS0026 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES OC(C2O)C(C(c(c34)c(cc(c3C(C=C(c(c5)ccc(O)c5O)O4)=O)O)O)OC2CO)OC(O1)C(O)C(O)C(C1C)O M END
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