Mol:FL5FFCNI0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -0.3746 -0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3842 0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3153 -1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0506 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 0.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0751 0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8033 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0995 -1.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2061 0.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 1.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4823 1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7967 1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0995 -1.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3153 -1.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7559 -1.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5177 0.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9076 1.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9188 0.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 0.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0751 1.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6528 0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5155 -1.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 -0.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 -1.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6528 -0.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 10 20 1 0 0 0 0 21 14 1 0 0 0 0 13 22 1 0 0 0 0 20 23 1 0 0 0 0 9 24 1 0 0 0 0 22 25 1 0 0 0 0 11 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL5FFCNI0009 KNApSAcK_ID C00013530 NAME 3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone CAS_RN - FORMULA C22H22O8 EXACTMASS 414.13146768 AVERAGEMASS 414.40528000000006 SMILES C(C)(C)=CCc(c3O)c(c(c(c23)OC(=C(C2=O)O)c(c1)cc(OC)c(O)c1)O)OC M END