Mol:FL5FFANI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -3.0915 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0915 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9789 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9789 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4226 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4226 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4226 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2568 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2568 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3102 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6483 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2865 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9562 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 1.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0851 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6483 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0851 0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2571 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8205 1.9451 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 18 1 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 -2.2571 1.0455 S SKP 8 ID FL5FFANI0001 KNApSAcK_ID C00005005 NAME 3,5,7-Trihydroxy-8-methoxy-4'-prenyloxyflavone CAS_RN 160036-24-8 FORMULA C21H20O7 EXACTMASS 384.120902994 AVERAGEMASS 384.37929999999994 SMILES c(c3)(ccc(OCC=C(C)C)c3)C(O2)=C(C(c(c21)c(cc(c1OC)O)O)=O)O M END
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