Mol:FL5FGANI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -2.0737 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1853 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6932 -1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0896 -1.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4701 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5975 -1.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 -1.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1177 -1.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3744 -0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6845 -2.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7211 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2225 -1.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9514 -0.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4499 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8348 -0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8047 -2.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5656 -0.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3586 0.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4539 0.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 1.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1194 2.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1356 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5665 -0.1517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1985 -0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7721 -2.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5382 -2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -1.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -1.6054 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 1 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 22 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 8 29 1 0 0 0 0 29 30 1 0 0 0 0 2 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 31 32 M SBL 3 1 33 M SMT 3 OCH3 M SVB 3 33 -2.9555 -1.1929 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 29 30 M SBL 2 1 31 M SMT 2 OCH3 M SVB 2 31 0.183 -1.4906 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 2.241 0.661 S SKP 8 ID FL5FGANI0003 KNApSAcK_ID C00004935 NAME Pratensin A;5,7,8-Trihydroxy-3,6,4'-trimethoxyflavone 8-tiglate;(E)-5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid CAS_RN 142609-00-5 FORMULA C23H22O9 EXACTMASS 442.126382302 AVERAGEMASS 442.41538 SMILES O(C)c(c3)ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(c(OC(C(C)=CC)=O)1)O)OC M END