Mol:FL1C3CGS0024
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 44 47 0 0 0 0 0 0 0 0999 V2000 0.9924 -0.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9924 -1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 -1.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 -1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 -0.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 0.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 -1.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8503 -1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8503 -0.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 0.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -0.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9937 0.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9937 0.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 0.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 -2.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 -0.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3155 -0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7935 0.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5687 0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8156 -0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -0.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2373 -0.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 -2.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3244 0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6749 1.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 -1.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 2.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4132 1.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8251 1.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4132 2.4306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 1.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8849 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2974 1.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1224 1.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5349 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1224 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2974 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3587 1.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3587 0.8679 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 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 11 2 0 0 0 0 11 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 10 1 0 0 0 0 7 16 2 0 0 0 0 17 18 1 1 0 0 0 18 19 1 1 0 0 0 20 19 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 22 23 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 3 27 1 0 0 0 0 1 28 1 0 0 0 0 13 29 1 0 0 0 0 2 30 1 0 0 0 0 14 31 1 0 0 0 0 20 28 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 32 23 1 0 0 0 0 29 44 1 0 0 0 0 S SKP 8 ID FL1C3CGS0024 KNApSAcK_ID C00014512 NAME Okanin 4-methyl ether 4'-O-(6''-O-p-coumaroylglucoside);3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4'-O-(6''-O-p-coumaroylglucoside) CAS_RN 142628-32-8 FORMULA C31H30O13 EXACTMASS 610.168641046 AVERAGEMASS 610.5621 SMILES C(O)(C3O)C(C(OC(COC(C=Cc(c4)ccc(O)c4)=O)3)Oc(c2)c(O)c(c(c2)C(C=Cc(c1)cc(c(c1)OC)O)=O)O)O M END
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