Mol:FL5FA9NS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.6027 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6027 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6018 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1022 0.4073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 -0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3991 -0.4595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3991 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 0.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 0.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9599 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9599 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4296 1.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 1.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 -1.3257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2651 -0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1312 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5666 -0.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 0.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4598 1.6032 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 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 8 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 -1.9599 0.7371 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -1.5666 -0.8929 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 0.542 -0.6658 S SKP 8 ID FL5FA9NS0001 KNApSAcK_ID C00001042 NAME Galangin 3,5,7-trimethyl ether;Galangin trimethyl ether;3,5,7-trimethoxyflavone CAS_RN 26964-29-4 FORMULA C18H16O5 EXACTMASS 312.099773622 AVERAGEMASS 312.31664 SMILES c(C(O2)=C(C(c(c(OC)3)c2cc(OC)c3)=O)OC)(c1)cccc1 M END