Mol:FL3FECNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.6513 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3798 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7399 -0.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3715 -0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6429 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 -0.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3631 0.1552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6346 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2745 0.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5198 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2663 1.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3859 1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7614 1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4847 2.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1675 2.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 1.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -0.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 -1.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0936 -0.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 3.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 4.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 2.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2973 3.1812 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 3 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 15 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 2.241 1.1662 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 1.3907 1.7424 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 -2.9555 -0.6877 S SKP 8 ID FL3FECNS0002 KNApSAcK_ID C00003845 NAME Eupatilin;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one CAS_RN 22368-21-4 FORMULA C18H16O7 EXACTMASS 344.089602866 AVERAGEMASS 344.31543999999997 SMILES c(c1OC)(O)cc(O2)c(C(=O)C=C2c(c3)cc(OC)c(OC)c3)c1O M END