Mol:FL5FEAGL0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -2.8062 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8062 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 0.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 1.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1373 -0.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0249 1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5421 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1091 1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1091 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5421 2.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0249 2.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0671 -0.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1126 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7249 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 -0.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2204 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6081 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8626 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3855 0.1411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1314 0.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0944 0.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6759 2.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 -0.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4171 1.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8493 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1949 -0.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 -1.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5058 -1.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5206 -2.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5206 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8062 0.0737 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 22 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 2 36 1 0 0 0 0 36 37 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 36 37 M SBL 1 1 39 M SMT 1 ^OCH3 M SBV 1 39 -5.9296 6.5942 S SKP 8 ID FL5FEAGL0010 KNApSAcK_ID C00005935 NAME 6-Methoxykaempferol 3-(6''-acetylglucoside) CAS_RN 118201-25-5 FORMULA C24H24O13 EXACTMASS 520.121690854 AVERAGEMASS 520.43956 SMILES c(c4OC)(O)c(c(cc(O)4)2)C(=O)C(=C(c(c3)ccc(c3)O)O2)OC(O1)C(O)C(O)C(O)C1COC(C)=O M END