Mol:FL5FELNS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -3.2080 -0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2995 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9201 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3743 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0116 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6321 1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0863 1.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3616 0.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7982 2.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3353 2.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5047 3.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1371 3.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6001 3.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4306 2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8935 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3066 4.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 4.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7976 4.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0905 4.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3045 2.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5973 2.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9724 -1.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -0.8071 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 17 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 8 25 1 0 0 0 0 25 26 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 27 28 M SBL 4 1 29 M SMT 4 OCH3 M SVB 4 29 -2.9555 -0.3996 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 0.183 -0.6973 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 1.8838 0.2661 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 2.241 1.4543 S SKP 8 ID FL5FELNS0009 KNApSAcK_ID C00004812 NAME 5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone CAS_RN 100363-93-7 FORMULA C19H18O9 EXACTMASS 390.095082174 AVERAGEMASS 390.34082 SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c(O)2)cc(OC)c(OC)c2)OC)=O M END
