Mol:FL1CA8GS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.2976 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2976 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1314 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1314 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 -0.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5603 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2748 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7037 1.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7037 1.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 2.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2748 1.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 -1.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 -1.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0149 -1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2036 -1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6815 -1.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4567 -1.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -0.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7037 -1.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2611 -1.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1256 -2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -1.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9843 1.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 -0.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 0.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6393 2.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6516 0.6665 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 5 30 1 0 0 0 0 15 31 1 0 0 0 0 27 20 1 0 0 0 0 28 32 1 0 0 0 0 S SKP 8 ID FL1CA8GS0001 KNApSAcK_ID C00014503 NAME Androechin;2,2',6'-Trihydroxy-4'-methoxychalcone 2'-O-glucoside CAS_RN 423775-36-4 FORMULA C22H24O10 EXACTMASS 448.136946988 AVERAGEMASS 448.41996000000006 SMILES C(C(=O)c(c2OC(C(O)3)OC(CO)C(C3O)O)c(cc(c2)OC)O)=Cc(c1O)cccc1 M END
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