Mol:FL3FALNS0007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.4197 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7769 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 2.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 -0.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2276 -0.8549 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 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 3 18 1 0 0 0 0 16 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 26 27 M SBL 4 1 28 M SMT 4 OCH3 M SVB 4 28 1.7052 -0.0612 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 0.0044 1.4185 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 2.0624 1.127 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 -2.7769 0.4428 S SKP 8 ID FL3FALNS0007 KNApSAcK_ID C00003964 NAME 5,3'-Dihydroxy-7,2',4',5'-tetramethoxyflavone CAS_RN 132923-23-0 FORMULA C19H18O8 EXACTMASS 374.100167552 AVERAGEMASS 374.34142 SMILES c(c3OC)c(c(c(c3OC)O)OC)C(O1)=CC(c(c(O)2)c1cc(OC)c2)=O M END
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