Mol:FL3FGLNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -3.0294 -0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4089 -0.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 -0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1209 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7415 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1957 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 1.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9077 1.1898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 0.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 2.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3261 3.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 3.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4215 3.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 2.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3344 -0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 4.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7149 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7938 -1.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7195 -0.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6854 -0.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 4.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9118 4.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6772 0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4333 1.1865 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 17 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 14 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 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 -1.2281 1.0455 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 2.0624 0.2661 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 -2.4197 0.77 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 -2.7769 -0.3996 S SKP 8 ID FL3FGLNS0002 KNApSAcK_ID C00003966 NAME Agecorynin D;2-(2,4-Dihydroxy-5-methoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one CAS_RN 77053-48-6 FORMULA C19H18O9 EXACTMASS 390.095082174 AVERAGEMASS 390.34082 SMILES c(c(C(O2)=CC(c(c3O)c2c(c(c3OC)OC)OC)=O)1)(O)cc(O)c(OC)c1 M END
