Mol:FL2FA9NC0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -1.6796 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -0.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5456 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -0.0579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -0.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2357 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 0.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -1.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -0.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5672 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5994 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5994 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0161 1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5672 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 1.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5597 -1.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 -1.9156 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 25 26 1 0 0 0 0 3 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 30 M SMT 1 OCH3 M SBV 1 30 -8.5263 5.3179 S SKP 8 ID FL2FA9NC0003 KNApSAcK_ID C00008181 NAME 5-O-Methylchamanetin CAS_RN 100348-95-6 FORMULA C23H20O5 EXACTMASS 376.13107375 AVERAGEMASS 376.4019 SMILES c(c4)(cccc4)C(O1)CC(=O)c(c(OC)2)c(c(Cc(c3)c(ccc3)O)c(c2)O)1 M END