Mol:FLIAAENP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.6288 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6288 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5162 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5964 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5964 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 1.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1525 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 -1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 0.0155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 0.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 -0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1851 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2935 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 -1.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2081 -1.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0742 -1.6713 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 8 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 20 2 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 20 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 2.579 -0.8775 S SKP 8 ID FLIAAENP0001 KNApSAcK_ID C00009506 NAME 3'-Hydroxyalpinumisoflavone 4'-methyl ether CAS_RN 84395-23-3 FORMULA C21H18O6 EXACTMASS 366.110338308 AVERAGEMASS 366.36402 SMILES c(C3=O)(c2O)c(OC=C(c(c4)cc(O)c(OC)c4)3)cc(c12)OC(C=C1)(C)C M END
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