Mol:FL5FEGGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 39 42 0 0 0 0 0 0 0 0999 V2000 -0.7737 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7737 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8952 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4515 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4515 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8952 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8952 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5746 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1416 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1416 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5746 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2174 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0093 0.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3846 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4901 -0.0278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0744 -0.5766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4758 -0.3438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8981 -0.3375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3179 0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8416 -0.1941 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1520 0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4669 -1.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5941 -0.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8737 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5204 -1.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3001 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3154 1.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2435 2.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1836 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0401 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9956 0.9717 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 1 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 20 1 0 0 0 0 14 30 1 0 0 0 0 30 31 1 0 0 0 0 2 32 1 0 0 0 0 32 33 1 0 0 0 0 16 34 1 0 0 0 0 34 35 1 0 0 0 0 8 36 1 0 0 0 0 36 37 1 0 0 0 0 26 38 1 0 0 0 0 38 39 1 0 0 0 0 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 38 39 M SBL 5 1 41 M SMT 5 CH2OH M SVB 5 41 -3.0401 0.6767 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 36 37 M SBL 4 1 39 M SMT 4 OCH3 M SVB 4 39 1.6504 -0.9854 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 34 35 M SBL 3 1 37 M SMT 3 OCH3 M SVB 3 37 2.858 1.7424 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 35 M SMT 2 OCH3 M SVB 2 35 -1.5204 -1.3787 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 3.3511 -0.022 S SKP 8 ID FL5FEGGS0001 KNApSAcK_ID C00005792 NAME 6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside CAS_RN 67963-63-7 FORMULA C25H28O14 EXACTMASS 552.147905604 AVERAGEMASS 552.4814200000001 SMILES c(c1)(c(c(cc1C(=C(OC)4)Oc(c3C4=O)cc(c(c3O)OC)O[C@@H]([C@H]2O)OC(CO)[C@H](O)[C@@H]2O)OC)O)OC M END