Mol:FL5FADGA0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.0757 -5.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -5.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7767 -4.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3638 -3.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2689 -4.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4886 -4.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5835 -3.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1706 -2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4621 -2.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6818 -3.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 -3.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8748 -2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6509 -1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7164 -1.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9404 -2.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5195 -2.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2952 -5.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 -2.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 -0.7669 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6630 -1.4383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4085 -1.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1584 -1.4383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5462 -0.7669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8007 -0.9798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3236 -0.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0695 -0.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5462 -0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3592 -0.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4089 -4.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -1.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5173 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7097 -1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4242 -1.8136 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 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 31 32 1 0 0 0 0 23 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 2.7097 -1.4011 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 0.7636 1.8136 S SKP 8 ID FL5FADGA0001 KNApSAcK_ID C00005524 NAME Isorhamnetin 3-galactoside CAS_RN 6743-92-6 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES c(C(=O)2)(c1O)c(OC(c(c4)cc(OC)c(O)c4)=C2O[C@H](O3)C(O)C([C@H]([C@@H](CO)3)O)O)cc(c1)O M END