Mol:FL3FECNS0023
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.8676 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3672 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8667 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8667 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3672 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1342 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6343 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6343 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3672 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2249 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5821 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5674 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4271 -0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2249 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 1.6032 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 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 3 17 1 0 0 0 0 7 18 2 0 0 0 0 14 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 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 -2.2249 0.7372 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 1.8676 0.201 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 -2.5821 -0.3356 S SKP 8 ID FL3FECNS0023 KNApSAcK_ID C00013595 NAME Cirsilineol;Anisomelin;Eupatrin;Fastigenin;5,4'-Dihydroxy-6,7,3'-trimethoxyflavone CAS_RN 41365-32-6 FORMULA C18H16O7 EXACTMASS 344.089602866 AVERAGEMASS 344.31543999999997 SMILES O(C(c(c3)cc(OC)c(O)c3)=2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC M END
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