Mol:FL5FCENS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 24 26 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 0.3617 -1.1394 0.0000 O 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 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 16 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 2.0624 1.127 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 -2.7769 0.4428 S SKP 8 ID FL5FCENS0001 KNApSAcK_ID C00004643 NAME Ombuin;3,5,3'-Trihydroxy-7,4'-dimethoxyflavone;4',7-Dimethylquercetin;3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one CAS_RN 529-40-8 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(O)c(OC)c2 M END
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