Mol:FL2FACGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.9630 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -2.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -2.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -2.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -1.5922 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2941 -1.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -3.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 -0.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -3.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 1.5706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2508 1.2427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0706 1.8732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2508 2.5076 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6829 2.8356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8630 2.2050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6383 3.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6052 2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 1.6321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1602 2.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5539 1.7008 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 14 18 1 0 0 0 0 1 19 1 0 0 0 0 20 15 1 0 0 0 0 3 21 1 0 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 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 23 20 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 CH2OH M SVB 1 34 0.3088 2.6795 S SKP 8 ID FL2FACGS0006 KNApSAcK_ID C00008293 NAME Eriodictyol 3'-O-glucoside CAS_RN 69284-90-8 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES c(c2)(C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(c(O)c2)O[C@@H](O1)C(O)C(O)[C@H](O)[C@@H]1CO M END