Mol:FL3FCBCS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.9168 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1958 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1958 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 0.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 -0.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 -0.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 0.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 -1.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 -1.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4701 -0.6146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9545 -1.1921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4389 -0.8827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7376 -0.9652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2326 -0.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7895 -0.7796 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1697 -0.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7655 -1.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3978 0.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9265 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9265 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3978 1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0639 -1.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 0.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 1.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4552 1.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1697 1.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9906 0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9457 0.4037 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 3 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 2 16 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 9 21 1 0 0 0 0 15 27 1 0 0 0 0 1 28 1 0 0 0 0 28 29 1 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 18 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 32 33 M SBL 3 1 35 M SMT 3 CH2OH M SVB 3 35 -2.9906 0.1075 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 33 M SMT 2 OCH3 M SVB 2 33 3.4552 1.5321 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 28 29 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 -1.274 0.891 S SKP 8 ID FL3FCBCS0008 KNApSAcK_ID C00006370 NAME Embigenin;6-beta-D-Glucopyranosyl-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 21089-34-9 FORMULA C23H24O10 EXACTMASS 460.136946988 AVERAGEMASS 460.43066 SMILES c(c1C(=C4)Oc(c2)c(C(=O)4)c(O)c([C@H](O3)[C@@H](O)[C@H]([C@H](C3CO)O)O)c2OC)cc(OC)cc1 M END