Mol:FL5FEAGS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 2.6667 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3812 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3812 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9056 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9056 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6201 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6299 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6964 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5718 -1.0567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2786 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0676 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2741 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6867 0.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4851 0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6711 1.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 1.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6964 0.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1272 -0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9143 -0.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 15 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 18 26 1 0 0 0 0 S SKP 8 ID FL5FEAGS0020 KNApSAcK_ID C00013823 NAME 6-Hydroxykaempferol 7-alloside;7-(beta-D-Allopyranosyloxy)-3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 205496-87-3 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES C(C1Oc(c4O)cc(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)(O)C(O)C(O)C(O1)CO M END