Mol:FL5FAAGS0015
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.9985 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4422 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1141 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4422 0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6704 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2267 -0.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2267 -0.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6704 0.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6704 -1.7159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 -0.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9168 0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4422 -1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5546 0.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4836 1.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 -1.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 0.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3247 -0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 0.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3247 1.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 1.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7536 0.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5521 1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3247 1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3187 0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -0.0850 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 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 19 1 0 0 0 0 S SKP 5 ID FL5FAAGS0015 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(O)C(O)C(C)2)1)O M END
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