Mol:FL3FBANS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -1.9630 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 -1.4198 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 15 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SBV 1 22 -4.8497 2.6375 S SKP 8 ID FL3FBANS0001 KNApSAcK_ID C00003819 NAME Thevetiaflavone CAS_RN 29376-68-9 FORMULA C16H12O5 EXACTMASS 284.068473494 AVERAGEMASS 284.26348 SMILES COc(c3)c(C(=O)2)c(cc(O)3)OC(=C2)c(c1)ccc(O)c1 M END
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