Mol:FL5FEGNS0018
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 33 0 0 0 0 0 0 0 0999 V2000 -1.9669 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8543 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2583 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5779 0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5779 -1.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9554 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5359 1.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8471 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6648 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1063 2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1243 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9903 -1.8137 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 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 8 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 28 29 M SBL 3 1 32 M SMT 3 OCH3 M SVB 3 32 0.4686 -0.9987 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 1.6648 1.7079 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 -1.8471 -1.2954 S SKP 8 ID FL5FEGNS0018 KNApSAcK_ID C00005068 NAME 3,5,3'-Trimethoxy-6,7:4',5'-bis(methylenedioxy)flavone CAS_RN 132185-75-2 FORMULA C20H16O9 EXACTMASS 400.07943210999997 AVERAGEMASS 400.33564 SMILES COc(c54)cc(cc(OCO5)4)C(O1)=C(C(c(c(OC)2)c1cc(O3)c(OC3)2)=O)OC M END
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