Mol:FL3FGCNS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.1490 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8635 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8635 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9944 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4233 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4233 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 0.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1993 -0.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2152 0.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8635 -1.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8635 1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8197 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8522 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8522 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 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 2 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 14 18 1 0 0 0 0 13 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 6 22 1 0 0 0 0 3 23 1 0 0 0 0 20 24 1 0 0 0 0 19 25 1 0 0 0 0 21 26 1 0 0 0 0 S SKP 8 ID FL3FGCNS0017 KNApSAcK_ID C00013337 NAME 5,8,4'-Trihydroxy-6,7,3'-trimethoxyflavone;Isothymonin CAS_RN 99615-01-7 FORMULA C18H16O8 EXACTMASS 360.08451748799996 AVERAGEMASS 360.31484 SMILES O(C(c(c3)cc(OC)c(O)c3)=2)c(c1O)c(C(=O)C2)c(c(c1OC)OC)O M END