Mol:FL5FFCNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -0.8299 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8299 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2827 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2827 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9514 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0854 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0854 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9514 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0854 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 -0.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6522 0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 -0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 -0.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0045 0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4411 1.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8018 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2432 2.6397 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 3 18 1 0 0 0 0 15 19 1 0 0 0 0 1 20 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 20 25 1 0 0 0 0 25 21 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 8 28 1 0 0 0 0 28 29 1 0 0 0 0 16 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 30 31 M SBL 3 1 32 M SMT 3 OCH3 M SVB 3 32 2.8018 1.7424 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 28 29 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 1.6056 -0.9641 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 0.0045 0.7574 S SKP 8 ID FL5FFCNI0002 KNApSAcK_ID C00005023 NAME 5,4'-Dihydroxy-3,8,3'-trimethoxy-7-prenyloxyflavone CAS_RN 160036-26-0 FORMULA C23H24O8 EXACTMASS 428.14711774399996 AVERAGEMASS 428.43186000000003 SMILES O=C(c23)C(OC)=C(Oc2c(OC)c(cc(O)3)OCC=C(C)C)c(c1)cc(OC)c(O)c1 M END