Mol:FL2FCFNM0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.2456 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7247 -1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2038 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2038 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7247 0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2456 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6829 -1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 -0.1273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6829 0.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6829 -1.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8927 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8927 1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7247 -1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6028 0.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1028 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4612 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 0.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 2 18 1 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 1.9605 1.0981 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 1.0992 1.6304 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 SVB 1 22 -2.6028 0.4914 S SKP 8 ID FL2FCFNM0001 KNApSAcK_ID C00008488 NAME 5-Hydroxy-7,3',4'-trimethoxy-6-C-methylflavanone CAS_RN 151649-33-1 FORMULA C19H20O6 EXACTMASS 344.125988372 AVERAGEMASS 344.3585 SMILES O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)C)OC M END
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