Mol:FL4DE9NS0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 22 25 0 0 0 0 0 0 0 0999 V2000 -1.3735 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8527 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8527 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3735 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1891 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1891 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1891 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7647 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2991 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2991 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7647 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8527 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 -0.7634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9456 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2991 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9456 -0.6488 0.0000 O 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 2 18 1 0 0 0 0 8 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 1 1 0 0 0 0 S SKP 8 ID FL4DE9NS0002 KNApSAcK_ID C00008598 NAME 3,5-Dihydroxy-6,7-methylenedioxyflavanone CAS_RN 110204-44-9 FORMULA C16H12O6 EXACTMASS 300.063388116 AVERAGEMASS 300.26288 SMILES c(c4)ccc(c4)C(O1)C(O)C(=O)c(c(O)2)c(cc(O3)c(OC3)2)1 M END
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