Mol:FL2FEANS0006
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -2.1040 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1212 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1212 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2443 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2443 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 0.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0925 -0.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 -0.7241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0925 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9841 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2697 -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 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 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 3 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 24 M SMT 1 OCH3 M SBV 1 24 -8.2362 4.1152 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 26 M SMT 2 OCH3 M SBV 2 26 -9.2394 3.6275 S SKP 8 ID FL2FEANS0006 KNApSAcK_ID C00008258 NAME 5,4'-Dimethoxy-6,7-methylenedioxyflavanone CAS_RN 105801-21-6 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES O(C(c(c4)ccc(OC)c4)3)c(c2)c(C(=O)C3)c(c(c21)OCO1)OC M END
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