Mol:FL2FEANS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.2521 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2521 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395 0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 -0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 -0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 0.1104 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5832 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0961 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6631 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0961 1.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 1.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 1.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -1.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -2.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6094 0.7291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1095 1.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9666 -0.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9585 -0.3137 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 14 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 24 25 M SBL 4 1 26 M SMT 4 OCH3 M SVB 4 26 -2.9666 -0.4406 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 -2.6094 0.7291 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -2.1323 -1.0137 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 2.2521 1.4262 S SKP 8 ID FL2FEANS0003 KNApSAcK_ID C00008234 NAME 5,6,7,4'-Tetramethoxyflavanone CAS_RN 72943-90-9 FORMULA C19H20O6 EXACTMASS 344.125988372 AVERAGEMASS 344.3585 SMILES c(c1OC)c(O2)c(C(=O)CC2c(c3)ccc(OC)c3)c(c1OC)OC M END
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