Mol:FL5FDDNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -0.8250 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2876 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2876 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0902 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0902 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5232 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0902 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9633 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5195 0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1008 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 0.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7052 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2662 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1322 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8066 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 2.6052 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 18 1 1 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 0 0 0 0 16 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 29 30 M SBL 3 1 31 M SMT 3 OCH3 M SVB 3 31 2.8066 1.7079 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 1.6104 -0.9987 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -0.7052 -1.2954 S SKP 8 ID FL5FDDNI0004 KNApSAcK_ID C00005009 NAME 4'-Hydroxy-3,5,3'-trimethoxy-7-prenyloxyflavone CAS_RN 114371-86-7 FORMULA C23H24O7 EXACTMASS 412.152203122 AVERAGEMASS 412.43246 SMILES O(C)C(C2=O)=C(Oc(c3)c2c(OC)cc3OCC=C(C)C)c(c1)cc(OC)c(O)c1 M END