Mol:FL5FFCNI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 -1.1871 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1871 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0745 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0745 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4818 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0381 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4818 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4818 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1612 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7281 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7281 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1612 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8972 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4533 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0094 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4533 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2981 -0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9041 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7701 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7281 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3528 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4446 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 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 1 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 18 23 1 0 0 0 0 23 19 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 8 26 1 0 0 0 0 26 27 1 0 0 0 0 15 28 1 0 0 0 0 28 29 1 0 0 0 0 6 30 1 0 0 0 0 30 31 1 0 0 0 0 16 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 32 33 M SBL 5 1 34 M SMT 5 OCH3 M SVB 5 34 2.4446 1.7079 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 30 31 M SBL 4 1 32 M SMT 4 OCH3 M SVB 4 32 -0.3528 0.7229 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 28 29 M SBL 3 1 30 M SMT 3 OCH3 M SVB 3 30 3.295 1.1317 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 28 M SMT 2 OCH3 M SVB 2 28 1.2484 -0.9987 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 -1.0672 -1.2954 S SKP 8 ID FL5FFCNI0004 KNApSAcK_ID C00005025 NAME 3,5,8,3',4'-Pentamethoxy-7-prenyloxyflavone CAS_RN 114371-87-8 FORMULA C25H28O8 EXACTMASS 456.17841787199995 AVERAGEMASS 456.48502 SMILES O(c(c(OC)1)ccc(C(O3)=C(OC)C(=O)c(c23)c(cc(c2OC)OCC=C(C)C)OC)c1)C M END