Mol:FL5FECGS0061
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 1.5128 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7983 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7983 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5128 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0838 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6306 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3451 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3451 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6306 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0838 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6306 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4885 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7983 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5128 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4351 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1519 -0.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4015 -1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2236 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5106 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1519 -0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3298 0.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0426 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4729 -0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 -0.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5198 -1.9078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 -1.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9362 -1.0412 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 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 18 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 31 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 21 1 0 0 0 0 S SKP 8 ID FL5FECGS0061 KNApSAcK_ID C00013950 NAME Quercetagetin 7-methyl ether 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-3,5,6-trihydroxy-7-methoxy-4H-1-benzopyran-4-one CAS_RN 235741-63-6 FORMULA C22H22O13 EXACTMASS 494.10604078999995 AVERAGEMASS 494.40228 SMILES OC(C4O)C(OC(CO)C4O)Oc(c3O)ccc(c3)C(=C(O)1)Oc(c2)c(c(O)c(c2OC)O)C1=O M END