Mol:FL5FAAGS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -3.0515 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0515 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3503 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6491 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6491 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3503 0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9479 -1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2467 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2467 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9479 0.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9479 -1.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4543 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1689 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1689 1.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4543 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7525 0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3503 -1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5702 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8674 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3787 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3184 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2637 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7525 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8128 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2204 -0.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1597 -0.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7332 0.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.8331 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 9 12 1 0 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 1 0 0 0 0 20 8 1 0 0 0 0 15 30 1 0 0 0 0 S SKP 5 ID FL5FAAGS0002 FORMULA C20H18O10 EXACTMASS 418.089996796 AVERAGEMASS 418.35092 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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