Mol:FL3FFANS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.4197 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1487 1.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7769 1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 1.6360 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 6 19 1 0 0 0 0 19 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 -2.7769 0.77 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 2.0624 1.4543 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -1.5853 1.0455 S SKP 8 ID FL3FFANS0007 KNApSAcK_ID C00003854 NAME Isoscutellarein 7,8,4'-trimethyl ether;5-Hydroxy-7,8,4'-trimethoxyflavone;5-Hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 57096-03-4 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES c(C(O2)=CC(c(c(O)3)c2c(c(OC)c3)OC)=O)(c1)ccc(OC)c1 M END