Mol:FL5FECNS0028
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.0784 -2.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0224 -1.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5486 -1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 -1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1868 -1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6606 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -0.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2392 -1.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2951 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7690 -2.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6133 -0.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8771 -2.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4134 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0068 -2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0639 -2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5275 -3.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9342 -2.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4927 -0.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0600 -2.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0583 -0.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8775 -0.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3559 -1.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8601 -3.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 -4.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7765 -2.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -3.5991 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 15 19 1 0 0 0 0 8 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 1 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 -2.241 0.482 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 1.7479 1.7424 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 -2.5983 -0.6877 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 0.5403 -0.9854 S SKP 8 ID FL5FECNS0028 KNApSAcK_ID C00004704 NAME Chrysosplenetin;5,4'-Dihydroxy-3,6,7,3'-tetramethoxyflavone;Quercetagetin 3,6,7,3'-tetramethyl ether;Polycladin;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one CAS_RN 603-56-5 FORMULA C19H18O8 EXACTMASS 374.100167552 AVERAGEMASS 374.34142 SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C1c(c2)cc(OC)c(O)c2)OC)=O M END
