Mol:FL3FF9GS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.6004 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0441 -0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5122 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5122 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0441 1.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 -0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 0.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 -0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7479 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7479 2.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0441 -0.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -0.9854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0854 -1.6660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3429 -1.3773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6265 -1.3695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1471 -0.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7967 -1.1916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3148 -1.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8892 -1.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9175 -2.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2634 1.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7255 2.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7187 -0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 -0.0454 0.0000 O 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 19 1 0 0 0 0 6 29 1 0 0 0 0 29 30 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 31 32 M SBL 2 1 34 M SMT 2 CH2OH M SVB 2 34 -1.9805 -0.7932 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 0.2634 1.6996 S SKP 8 ID FL3FF9GS0003 KNApSAcK_ID C00004129 NAME Wogonin 5-glucoside CAS_RN 80366-14-9 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES [C@@H](Oc(c24)cc(c(c2OC(=CC(=O)4)c(c3)cccc3)OC)O)([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O M END