Mol:FL5FECGS0058
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 41 44 0 0 0 0 0 0 0 0999 V2000 4.3890 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6745 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6745 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3890 1.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1034 0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1034 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5311 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5311 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8166 0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1022 -0.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1022 -1.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8166 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 0.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6745 -1.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8166 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8179 1.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3890 2.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5589 -1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5589 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3794 0.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9668 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1684 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5859 0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7429 0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8626 -0.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4154 -0.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3399 -0.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2684 0.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6790 1.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2657 2.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5029 1.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9161 0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9135 2.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8179 2.3391 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 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 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 26 33 1 0 0 0 0 27 34 1 0 0 0 0 28 18 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 35 31 1 0 0 0 0 40 41 1 0 0 0 0 S SKP 8 ID FL5FECGS0058 KNApSAcK_ID C00013947 NAME Patuletin 7-[6''-(2-methylbutyryl)-glucoside];Quercetagetin 6-methyl ether 7-[6''-(2-methylbutyryl)-glucoside];2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-6-methoxy-7-[[6-O-(2-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one CAS_RN 254886-93-6 FORMULA C27H30O14 EXACTMASS 578.163555668 AVERAGEMASS 578.5187000000001 SMILES c(c4O)(O)ccc(c4)C(=C(O)3)Oc(c1)c(C3=O)c(O)c(OC)c1OC(O2)C(C(C(O)C(COC(=O)C(CC)C)2)O)O M END
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