Mol:FL3FECGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 0.0193 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4703 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9214 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9214 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4703 0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3725 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8235 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8235 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3725 0.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3725 -0.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 0.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7341 0.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1939 0.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1939 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7341 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7341 1.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4703 -0.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4308 0.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4308 -0.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0703 -0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 -1.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8122 -1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0957 -1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6163 -0.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2659 -1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7841 -1.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3585 -1.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3867 -1.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8606 -0.4886 0.0000 O 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 16 18 1 0 0 0 0 19 15 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 2 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 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 33 29 1 0 0 0 0 26 22 1 0 0 0 0 S SKP 8 ID FL3FECGS0005 KNApSAcK_ID C00004380 NAME 6-Hydroxyluteolin 6-glucoside CAS_RN 72380-28-0 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES C(C1Oc(c(O)2)c(O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)2)(O)C(O)C(O)C(O1)CO M END