Mol:FL3FDBNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -2.4197 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7769 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2998 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -1.4198 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 18 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 3 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 -2.2998 -1.0073 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 2.0624 1.4197 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 -2.7769 0.7355 S SKP 8 ID FL3FDBNS0001 KNApSAcK_ID C00003821 NAME Apigenin 5,7,4'-trimethyl ether CAS_RN 5631-70-9 FORMULA C18H16O5 EXACTMASS 312.099773622 AVERAGEMASS 312.31664 SMILES c(C(=C3)Oc(c(C(=O)3)2)cc(OC)cc2OC)(c1)ccc(OC)c1 M END