Mol:FL3F3GNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.4197 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 1.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 0.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1487 1.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 0.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 -0.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2276 -0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6534 2.5691 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 15 18 1 0 0 0 0 18 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 26 27 M SBL 5 1 28 M SMT 5 OCH3 M SVB 5 28 1.212 1.6718 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 24 25 M SBL 4 1 26 M SMT 4 OCH3 M SVB 4 26 1.7052 -0.0926 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 -2.7769 0.4113 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -1.5853 0.6868 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 2.0624 1.0956 S SKP 8 ID FL3F3GNS0003 KNApSAcK_ID C00004079 NAME 7,8,3',4',5'-Pentamethoxyflavone CAS_RN 133342-97-9 FORMULA C20H20O7 EXACTMASS 372.120902994 AVERAGEMASS 372.3686 SMILES COc(c1OC)c(cc(C(=C2)Oc(c3OC)c(ccc3OC)C(=O)2)c1)OC M END