Mol:FL2FG9NS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.6004 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4878 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4878 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0685 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0685 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0685 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4575 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -2.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3149 -0.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3294 1.9107 0.0000 C 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 24 25 M SBL 4 1 26 M SMT 4 OCH3 M SVB 4 26 -0.766 1.011 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 -2.3149 -0.4342 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -1.4805 -1.0073 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -1.9576 0.7355 S SKP 8 ID FL2FG9NS0004 KNApSAcK_ID C00008162 NAME Kanakugin CAS_RN 57499-45-3 FORMULA C19H20O6 EXACTMASS 344.125988372 AVERAGEMASS 344.3585 SMILES O(C2c(c3)cccc3)c(c1OC)c(C(=O)C2)c(c(c1OC)OC)OC M END
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