Mol:FL3FDFNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.4197 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6534 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2998 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4956 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4956 0.8044 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 16 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 15 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 24 25 M SBL 4 1 26 M SMT 4 OCH3 M SVB 4 26 2.0624 1.1317 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 -2.7769 0.4474 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 -2.2998 -1.2954 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 1.212 1.7079 S SKP 8 ID FL3FDFNS0001 KNApSAcK_ID C00003871 NAME Luteolin 5,7,3',4'-tetramethyl ether CAS_RN 855-97-0 FORMULA C19H18O6 EXACTMASS 342.110338308 AVERAGEMASS 342.34262 SMILES O(C(c(c3)cc(OC)c(OC)c3)=2)c(c(C(=O)C2)1)cc(OC)cc1OC M END