Mol:FL3FFCNP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.3126 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7563 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7563 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6437 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0874 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6437 0.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6437 -1.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8689 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8689 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 -1.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7563 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6503 -2.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6699 0.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 1.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 1.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 2.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7604 3.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6026 1.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6026 1.3106 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 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 2 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 3 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 16 28 1 0 0 0 0 28 29 1 0 0 0 0 15 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 30 31 M SBL 4 1 33 M SMT 4 OCH3 M SVB 4 33 2.1545 1.6292 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 28 29 M SBL 3 1 31 M SMT 3 OCH3 M SVB 3 31 1.319 2.214 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 -1.4783 1.229 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -2.6699 0.9536 S SKP 8 ID FL3FFCNP0001 KNApSAcK_ID C00004067 NAME 7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone CAS_RN 137319-32-5 FORMULA C24H24O7 EXACTMASS 424.152203122 AVERAGEMASS 424.44316000000003 SMILES O(c42)C(=CC(=O)c2c(c3c(c4OC)OC)OC(C)(C)C=C3)c(c1)ccc(c(OC)1)OC M END
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