Mol:FL5FFCNS0031
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -2.1833 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7394 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0634 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9079 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 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 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 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 1 21 1 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 8 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 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 29 M SMT 3 OCH3 M SVB 3 29 -1.349 1.011 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 0.2522 -0.7106 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 -2.0634 -1.0073 S SKP 8 ID FL5FFCNS0031 KNApSAcK_ID C00005058 NAME 7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,8-trimethoxy-4H-1-benzopyran-4-one CAS_RN 7741-42-6 FORMULA C19H16O8 EXACTMASS 372.08451748799996 AVERAGEMASS 372.32554 SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c(OC)3)c2c(c(O)c3)OC)=O)OC)c1 M END
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