Mol:FL5FGLNS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -2.8930 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2603 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 0.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 0.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3059 -0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2338 0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 1.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2794 1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4991 0.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7406 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 1.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4682 2.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 2.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5337 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7577 2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3368 1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9545 3.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6652 3.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3047 2.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 3.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8842 1.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6503 0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3518 -1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9185 -0.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8803 -0.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4402 -1.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2063 -2.1665 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 14 20 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 1 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 29 30 M SBL 5 1 31 M SMT 5 OCH3 M SVB 5 31 -2.241 0.6243 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 27 28 M SBL 4 1 29 M SMT 4 OCH3 M SVB 4 29 -1.0494 0.8998 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 -2.5983 -0.5453 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 0.5403 1.6001 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 0.5403 -0.843 S SKP 8 ID FL5FGLNS0008 KNApSAcK_ID C00004852 NAME 5,4',5'-Trihydroxy-3,6,7,8,2'-pentamethoxyflavone CAS_RN 113744-05-1 FORMULA C20H20O10 EXACTMASS 420.10564686 AVERAGEMASS 420.3668 SMILES COc(c1)c(C(O3)=C(C(c(c32)c(c(c(c(OC)2)OC)OC)O)=O)OC)cc(O)c(O)1 M END
