Mol:FL3FEAGS0013
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -2.3389 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -1.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 0.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2361 -1.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4649 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4649 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2361 0.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2361 -2.1884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1656 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8799 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5943 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5943 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8799 1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1656 0.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0396 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 1.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -2.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0384 -1.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4872 0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8038 -0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0207 0.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8038 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4872 1.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2705 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1943 2.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8024 1.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8424 1.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0631 0.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 -0.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7189 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7189 0.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2522 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0631 0.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1032 -0.8040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0018 -0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4996 -1.2321 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 15 19 1 0 0 0 0 20 3 1 0 0 0 0 2 21 1 0 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 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 22 31 1 0 0 0 0 23 18 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 37 38 1 0 0 0 0 32 39 1 0 0 0 0 36 19 1 0 0 0 0 34 40 1 0 0 0 0 33 41 1 0 0 0 0 S SKP 5 ID FL3FEAGS0013 FORMULA C27H30O14 EXACTMASS 578.163555668 AVERAGEMASS 578.5187000000001 SMILES c(c4)(c1c(c(O)c4OC(O5)C(C(C(O)C5C)O)O)O)OC(c(c3)ccc(c3)OC(O2)C(O)C(C(C(C)2)O)O)=CC(=O)1 M END
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