Mol:FL5FAEGA0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.7830 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 0.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5577 -0.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5577 -0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 0.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -1.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 0.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 -0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1323 0.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1323 0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 1.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0904 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4936 -1.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 -1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6313 -0.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 -1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4087 -0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1546 -0.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 0.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 -1.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3939 0.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 1.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6991 1.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4136 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3939 -1.8683 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 3 28 1 0 0 0 0 1 29 1 0 0 0 0 16 30 1 0 0 0 0 15 31 1 0 0 0 0 31 32 1 0 0 0 0 22 33 1 0 0 0 0 33 34 1 0 0 0 0 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 SBV 1 34 -4.6251 5.7035 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 SBV 2 36 -4.7561 5.3825 S SKP 8 ID FL5FAEGA0001 KNApSAcK_ID C00005590 NAME Tamarixetin 3-galactoside;Quercetin 4'-methyl ether 3-galactoside;3-(beta-D-Galactopyranosyloxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 52305-25-6 FORMULA C22H22O12 EXACTMASS 478.111126168 AVERAGEMASS 478.40288000000004 SMILES Oc(c1)c(ccc1C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(O)C(C(C(CO)2)O)O)OC M END