Mol:FL2FEANS0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.4150 -1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0187 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5108 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3034 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8913 -2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7797 -3.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1761 -3.2782 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6840 -2.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0646 -3.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5661 -4.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 -4.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8372 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3356 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4494 -4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4022 -2.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1141 -1.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7235 -5.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3555 -6.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5822 -0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6966 -1.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2926 -0.9343 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 3 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 -2.5867 0.79 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -2.9555 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 2.241 1.4543 S SKP 8 ID FL2FEANS0005 KNApSAcK_ID C00008253 NAME 5-Hydroxy-6,7,4'-trimethoxyflavanone CAS_RN 75933-05-0 FORMULA C18H18O6 EXACTMASS 330.110338308 AVERAGEMASS 330.33191999999997 SMILES O(C(c(c3)ccc(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC M END
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