Mol:FL1C1ANP0016
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -2.5642 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5642 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8497 -0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8497 1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2787 1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2937 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0082 -0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0082 -1.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7226 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4371 -0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1516 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1516 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4371 1.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7226 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4371 -1.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 -0.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5805 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5805 0.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8627 1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 0.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -0.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0249 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7608 -0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7608 -1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -0.2564 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 1 7 1 0 0 0 0 4 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 10 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 13 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 15 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL1C1ANP0016 KNApSAcK_ID C00014464 NAME Paratocarpin B;3-Prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']-4,2'-dihydroxychalcone CAS_RN 161099-57-6 FORMULA C25H26O4 EXACTMASS 390.18310931999997 AVERAGEMASS 390.47153999999995 SMILES C(C=Cc(c3)cc(c(O)c3)CC=C(C)C)(=O)c(c1O)ccc(O2)c1C=CC2(C)C M END
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