Mol:FL5FEAGS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -3.0704 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0704 -0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5141 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9578 -0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9578 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5141 0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4015 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 -0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4015 0.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4015 -1.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2891 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2778 -0.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8448 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8448 0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2778 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2891 0.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6265 0.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 -1.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4116 1.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5141 -1.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5901 0.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8905 1.8548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6864 1.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3535 1.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3055 0.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 0.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7849 1.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7849 -0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0704 -1.2126 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 1 18 1 0 0 0 0 8 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 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 20 1 0 0 0 0 2 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 ^OCH3 M SBV 1 35 -9.1433 3.5135 S SKP 8 ID FL5FEAGS0009 KNApSAcK_ID C00005320 NAME 6-Methoxykaempferol 4'-rhamnoside CAS_RN 124962-14-7 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES C(O)(C(C)1)C(C(C(Oc(c2)ccc(C(=C(O)3)Oc(c4)c(c(c(OC)c4O)O)C3=O)c2)O1)O)O M END