Mol:FL5F29NP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.2341 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3456 -0.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8536 -1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2499 -0.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1384 -0.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6305 0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2421 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 -1.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9573 -0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 -0.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 -1.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5607 -0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 -0.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7911 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2896 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6744 0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5189 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 1.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6146 0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5031 1.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6118 -1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3778 -2.3899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0334 -0.5038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4014 -1.0341 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 6 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 -2.1159 -0.6216 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 1.0226 -0.9193 S SKP 8 ID FL5F29NP0001 KNApSAcK_ID C00005074 NAME 3,6-Dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone CAS_RN 61755-75-7 FORMULA C22H20O5 EXACTMASS 364.13107375 AVERAGEMASS 364.3912 SMILES c(c1)ccc(C(=C4OC)Oc(c(C4=O)3)c(C=2)c(c(OC)c3)OC(C2)(C)C)c1 M END