Mol:FL2FF9GS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.4537 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4537 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6589 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6589 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2152 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8946 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4615 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4615 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8946 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0098 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0744 -0.0348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7282 -0.4919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2296 -0.2980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7099 -0.3037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0981 0.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6074 -0.1260 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4615 0.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 -0.9221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9439 -0.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7942 0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7516 0.9578 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 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 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 -2.7942 0.6691 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 0.3806 1.0455 S SKP 8 ID FL2FF9GS0002 KNApSAcK_ID C00008157 NAME Dihydrowogonin 7-O-glucoside CAS_RN 99211-28-6 FORMULA C22H24O10 EXACTMASS 448.136946988 AVERAGEMASS 448.41996000000006 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