Mol:FL1C3AGS0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -0.9290 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2146 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4999 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2146 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6433 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3578 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0723 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0723 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3578 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6433 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2144 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3179 0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8399 -0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0647 0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2534 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7314 0.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5066 0.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 1.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7535 0.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3109 0.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1752 -0.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2146 -1.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 0.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3013 1.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 1.8371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6666 -0.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 -0.5872 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 29 23 1 0 0 0 0 13 30 1 0 0 0 0 2 31 1 0 0 0 0 31 32 1 0 0 0 0 28 20 1 0 0 0 0 S SKP 8 ID FL1C3AGS0005 KNApSAcK_ID C00014508 NAME Homobutein 4'-O-glucoside;4,2',4'-Trihydroxy-3-methoxychalcone 4'-O-glucoside CAS_RN 89648-27-1 FORMULA C22H24O10 EXACTMASS 448.136946988 AVERAGEMASS 448.41996000000006 SMILES OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)ccc(O)c3)c(O)2)OC(CO)C1O M END
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