Mol:FL5FG9NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.4348 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5464 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0543 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4507 -0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3391 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8312 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7566 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 0.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 -1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8615 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4767 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5904 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 0.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1658 -1.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0212 1.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1865 -0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 -1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1771 -2.1776 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 6 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 0.8237 -0.6973 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 -2.3149 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -1.9576 0.77 S SKP 8 ID FL5FG9NS0002 KNApSAcK_ID C00004586 NAME 5,8-Dihydroxy-3,6,7-trimethoxyflavone;5,8-Dihydroxy-3,6,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one CAS_RN 85966-33-2 FORMULA C18H16O7 EXACTMASS 344.089602866 AVERAGEMASS 344.31543999999997 SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)O)=O)OC)(c1)cccc1 M END