Mol:FL5FAANI0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.1306 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0946 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0946 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6507 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6744 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6867 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2416 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3514 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3503 -1.1318 0.0000 O 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 18 1 1 0 0 0 0 8 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 3 25 1 0 0 0 0 15 26 1 0 0 0 0 22 27 1 0 0 0 0 S SKP 8 ID FL5FAANI0002 KNApSAcK_ID C00004994 NAME 3,5,7,4'-Tetrahydroxy-6-(3-hydroxy-3-methylbutyl)flavone CAS_RN 143724-79-2 FORMULA C20H20O7 EXACTMASS 372.120902994 AVERAGEMASS 372.3686 SMILES c(c3)c(ccc(O)3)C(=C2O)Oc(c(C2=O)1)cc(c(CCC(C)(C)O)c1O)O M END
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