Mol:FL631CGS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.9916 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7061 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4206 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4206 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7061 -1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2772 -1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4373 -0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4373 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2772 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 1.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1351 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 2.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2289 -1.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1351 1.5680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 -1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -2.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 -1.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0983 -2.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5682 -1.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 -1.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9018 -2.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8919 -2.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 -1.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1851 -1.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 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 1 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 2 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 4 17 1 0 0 0 0 18 15 1 0 0 0 0 8 19 1 1 0 0 0 14 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 23 27 1 0 0 0 0 22 28 1 0 0 0 0 21 29 1 0 0 0 0 19 26 1 0 0 0 0 26 30 1 1 0 0 0 S SKP 5 ID FL631CGS0001 FORMULA C20H21HO9 EXACTMASS 406.126382302 AVERAGEMASS 406.38328 SMILES c(O)(c4)ccc(c41)CC(OC(C(O)3)(OCC(O)C3O)[H])C(c(c2)cc(c(O)c2)O)O1 M END
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