Mol:FL5FFCNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -0.8299 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8299 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2827 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2827 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9514 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0854 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0854 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9514 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0854 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 -0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6522 0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 -0.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 -0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1273 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0045 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4411 1.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8018 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2432 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0045 -1.7079 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 15 18 1 0 0 0 0 1 19 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 19 24 1 0 0 0 0 24 20 1 0 0 0 0 8 25 1 0 0 0 0 25 26 1 0 0 0 0 6 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 3 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 31 32 M SBL 4 1 33 M SMT 4 OCH3 M SVB 4 33 -0.71 -1.2954 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 2.8018 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 0.0045 0.7229 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 1.6056 -0.9987 S SKP 8 ID FL5FFCNI0003 KNApSAcK_ID C00005024 NAME 4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone CAS_RN 132537-16-7 FORMULA C24H26O8 EXACTMASS 442.162767808 AVERAGEMASS 442.45844 SMILES C(O2)(c(c3)ccc(O)c(OC)3)=C(OC)C(=O)c(c12)c(cc(c1OC)OCC=C(C)C)OC M END