Mol:FL3FACGS0068
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -4.3118 0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3118 -0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6107 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9096 -0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9096 0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6107 0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2086 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5075 -0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5075 0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2086 0.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2086 -1.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8067 0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0923 0.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6222 0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6222 1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0923 1.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8067 1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6107 -1.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0286 0.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 1.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5588 0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 0.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7639 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1858 0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3747 0.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8246 0.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 0.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8988 0.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4354 0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 1.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3817 1.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 1.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5798 -0.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 0.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 -0.8404 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 19 1 1 0 0 0 0 15 20 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 14 30 1 0 0 0 0 22 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 24 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 34 35 36 M SBL 1 1 39 M SMT 1 COOH M SBV 1 39 -0.8159 -0.1430 S SKP 5 ID FL3FACGS0068 FORMULA C23H20O13 EXACTMASS 504.090390726 AVERAGEMASS 504.3971 SMILES C(O)(C(Oc(c4O)cc(cc4)C(O3)=CC(c(c32)c(O)cc(O)c2)=O)1)C(OC(C)=O)C(O)C(C(O)=O)O1 M END