Mol:FL5FECNS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.8838 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8838 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3275 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3275 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3414 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3414 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8975 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4645 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0315 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0315 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4645 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8975 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4399 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0315 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3275 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3275 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0734 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5983 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5902 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 26 27 M SBL 4 1 28 M SMT 4 OCH3 M SVB 4 28 1.7479 1.7079 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 -2.5983 -0.7222 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 0.5403 -1.0199 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -1.7639 -1.2954 S SKP 8 ID FL5FECNS0025 KNApSAcK_ID C00004701 NAME Quercetagetin 3,5,6,3'-tetramethyl ether CAS_RN 58130-92-0 FORMULA C19H18O8 EXACTMASS 374.100167552 AVERAGEMASS 374.34142 SMILES c(c1OC)(O)cc(O2)c(C(C(=C2c(c3)cc(OC)c(O)c3)OC)=O)c1OC M END