Mol:FL3FF9GS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 0.0390 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5953 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1516 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1516 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5953 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7079 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2642 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2642 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7079 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7079 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8203 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3872 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3872 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8203 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5171 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5953 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2404 0.4194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7248 -0.2612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9823 0.0275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2658 0.0353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7865 0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 0.2132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9542 0.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5286 -0.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5569 -0.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9027 1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 1.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3581 0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4301 1.4669 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 18 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 -2.6199 0.6116 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 0.9027 1.0625 S SKP 8 ID FL3FF9GS0004 KNApSAcK_ID C00004130 NAME Wogonin 7-glucoside CAS_RN - FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES c(C(=O)3)(c(O)2)c(OC(c(c4)cccc4)=C3)c(c(c2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O)OC M END