Mol:FL5FCCGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.0997 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0997 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 -0.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5692 -0.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5692 0.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5692 -1.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6816 0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 1.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6816 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 -1.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 1.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6816 -0.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 2.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8225 -1.4964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3956 -2.0599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7808 -1.8209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1876 -1.8145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6186 -1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2466 -1.6088 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3714 -1.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0611 -2.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4285 -2.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4819 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4599 -0.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 1.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 1.9394 0.0000 C 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 8 20 1 0 0 0 0 16 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 18 25 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 1 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 31 32 M SBL 2 1 34 M SMT 2 CH2OH M SVB 2 34 -2.4819 -0.883 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 36 M SMT 1 OCH3 M SVB 1 36 -1.457 1.0734 S SKP 8 ID FL5FCCGS0004 KNApSAcK_ID C00005508 NAME Rhamnetin 5-glucoside CAS_RN 93078-95-6 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES c(c23)c(OC)cc(c(C(C(O)=C(c(c4)ccc(c4O)O)O3)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O M END