Mol:FL5FABGI0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 40 43 0 0 0 0 0 0 0 0999 V2000 0.3699 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7988 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9422 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9422 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6567 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5743 0.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1618 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3637 -0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5704 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 0.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7810 -0.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1935 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3712 -0.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9587 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9904 0.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9512 -1.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7736 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3712 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7736 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3446 2.8875 0.0000 C 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 1 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 2 1 0 0 0 0 7 12 2 0 0 0 0 12 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 7 1 0 0 0 0 3 17 2 0 0 0 0 14 19 1 0 0 0 0 11 18 1 0 0 0 0 9 32 1 0 0 0 0 4 27 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 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 20 1 0 0 0 0 25 26 1 0 0 0 0 22 31 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 26 30 1 0 0 0 0 23 32 1 0 0 0 0 19 33 1 0 0 0 0 8 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 S SKP 8 ID FL5FABGI0029 KNApSAcK_ID C00014007 NAME Caohuoside D;8-(3''-Hydroxy-3''-methylbutyl)kaempferol 4'-methyl ether 7-glucoside;7-(beta-D-Glucopyranosyloxy)-3,5-dihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 161504-79-6 FORMULA C28H34O12 EXACTMASS 562.2050265519999 AVERAGEMASS 562.56236 SMILES O=C(c13)C(O)=C(c(c4)ccc(c4)OC)Oc1c(CCC(C)(C)OC)c(cc3O)OC(C2O)OC(CO)C(C2O)O M END