Mol:FL5FADGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.0282 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 -0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4719 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0844 -0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0844 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4719 0.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6407 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6407 0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6407 -1.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7531 0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3201 0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8871 0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8871 1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3201 1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7531 1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 0.7847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4719 -1.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8871 1.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7531 -0.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7589 -1.3938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3165 -1.9778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6795 -1.7301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0647 -1.7234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5114 -1.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0688 -1.5708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3714 -1.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0062 -2.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3144 -2.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6035 2.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0449 3.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0975 -1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 -0.8125 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 15 1 0 0 0 0 8 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 19 1 0 0 0 0 16 31 1 0 0 0 0 31 32 1 0 0 0 0 27 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 36 M SMT 2 CH2OH M SVB 2 36 -2.1682 -1.1724 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 2.6035 2.3428 S SKP 8 ID FL5FADGS0007 KNApSAcK_ID C00005529 NAME Isorhamnetin 5-glucoside CAS_RN 34199-20-7 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES O(c(c1)c(O)ccc1C(=C4O)Oc(c2)c(C4=O)c(O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)cc2O)C M END