Mol:FL3FFCGS0008
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 0.7710 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6731 0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6731 0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 1.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 -0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5752 0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5752 0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 1.0263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 -0.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 1.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 2.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -0.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 1.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 1.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5147 1.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9755 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2591 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7797 0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5381 0.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8101 0.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5218 0.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 -0.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2706 -1.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 -1.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -1.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5066 -1.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0272 -0.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7856 -1.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 -2.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4712 -0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1727 -0.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9202 -0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9202 -0.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5147 -1.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8337 1.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1192 1.0884 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 3 19 1 0 0 0 0 1 20 1 0 0 0 0 6 21 1 0 0 0 0 22 15 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 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 34 39 1 0 0 0 0 35 40 1 0 0 0 0 32 33 1 0 0 0 0 36 31 1 0 0 0 0 26 20 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 28 46 1 0 0 0 0 46 47 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 46 47 M SBL 1 1 50 M SMT 1 ^CH2OH M SBV 1 50 -7.5600 5.0278 S SKP 8 ID FL3FFCGS0008 KNApSAcK_ID C00004424 NAME 8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-glucoside] CAS_RN 108706-07-6 FORMULA C29H32O18 EXACTMASS 668.1588642199999 AVERAGEMASS 668.55358 SMILES c(c15)(c(c(cc5O)OC(O4)C(C(C(C4CO)O)O)OC(C(O)3)OC(COC(C)=O)C(C3O)O)O)OC(c(c2)cc(O)c(c2)O)=CC1=O M END
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