Mol:FL5FA9GS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -2.2393 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2393 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5704 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0141 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0141 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5704 1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5704 -0.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7165 -0.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7954 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7463 -1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3745 -1.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1752 -0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3745 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7463 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7159 -0.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9076 -1.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 -2.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7954 -1.3247 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 18 8 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 18 1 0 0 0 0 S SKP 8 ID FL5FA9GS0001 KNApSAcK_ID C00005121 NAME Galangin 3-rhamnoside CAS_RN 72463-31-1 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 SMILES C(C(=O)3)(=C(Oc(c4)c3c(cc(O)4)O)c(c2)cccc2)OC(O1)C(O)C(O)C(O)C(C)1 M END