Mol:FL5FA8NS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.7790 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 0.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 0.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -1.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 0.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 0.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6361 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6591 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 -1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3122 -1.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 -1.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1382 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8527 -0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6451 1.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1451 2.4315 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 1 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 1 0 0 0 0 17 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 0.6451 1.5655 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 1.1382 -0.1989 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 0.6451 -0.8776 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 -1.6591 -1.153 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 -2.1362 0.5898 S SKP 8 ID FL5FA8NS0007 KNApSAcK_ID C00004630 NAME 3,5,7,2',6'-Pentamethoxyflavone CAS_RN - FORMULA C20H20O7 EXACTMASS 372.120902994 AVERAGEMASS 372.3686 SMILES COc(c1)c(C(O2)=C(C(c(c3OC)c2cc(c3)OC)=O)OC)c(cc1)OC M END