Mol:FL5FDFNS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 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 -1.8633 -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 -1.8633 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 0.3617 -1.1347 0.0000 O 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 -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 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 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 8 18 1 0 0 0 0 1 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 3 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 1.212 1.7079 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 -2.2998 -1.2954 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 1.1317 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 -2.7769 0.4474 S SKP 8 ID FL5FDFNS0004 KNApSAcK_ID C00004654 NAME Quercetin 5,7,3',4'-tetramethyl ether CAS_RN 1244-78-6 FORMULA C19H18O7 EXACTMASS 358.10525293 AVERAGEMASS 358.34202000000005 SMILES O(c12)C(c(c3)cc(OC)c(OC)c3)=C(C(c(c(OC)cc(OC)c2)1)=O)O M END