Mol:FL5FECNS0042
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -2.2987 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2427 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7689 -0.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8809 -2.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8772 -0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4594 -0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5154 -1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9892 -1.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8336 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0974 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6337 -1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2840 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7478 -2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1544 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8296 -1.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2592 -1.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9220 -2.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7129 -0.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2786 -0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0977 0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5762 -1.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1597 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9967 -2.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5739 -3.3108 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 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 3 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 1 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 29 M SMT 3 OCH3 M SVB 3 29 -2.4614 0.77 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 -2.8186 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 0.3314 -0.6761 S SKP 8 ID FL5FECNS0042 KNApSAcK_ID C00005053 NAME Melisimplin;5-Hydroxy-3,6,7-trimethoxy-3',4'-(methylenedioxy)flavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one CAS_RN 485-53-0 FORMULA C19H16O8 EXACTMASS 372.08451748799996 AVERAGEMASS 372.32554 SMILES c(c4OC)c(O1)c(c(c4OC)O)C(C(=C1c(c3)cc(c2c3)OCO2)OC)=O M END
