Mol:FL4DAAGS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -3.2880 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5841 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5841 0.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1762 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4722 -0.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4722 0.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1762 0.8997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1762 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3112 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7402 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7402 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 2.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3112 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0086 0.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1605 -1.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4547 2.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5841 -1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 -0.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -1.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8425 -1.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 -0.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0086 -0.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7369 -2.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8425 -0.3252 0.0000 O 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 6 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 6 18 1 0 0 0 0 8 19 1 1 0 0 0 15 20 1 0 0 0 0 2 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 19 23 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 S SKP 5 ID FL4DAAGS0001 FORMULA C20H20O10 EXACTMASS 420.10564686 AVERAGEMASS 420.3668 SMILES O(c32)C(c(c4)ccc(O)c4)C(C(=O)c2c(cc(O)c3)O)OC(O1)C(O)C(C(O)C1)O M END
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